Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01661235
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
084 | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.71 | |
HP1 | IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE | A,B | 407D | 0.7 | |
306 | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H- INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN- 2(1H)-ONE | A | 2HY0 | 0.7 | |
5MB | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.71 | |
EMU | N-BENZYL-9H-PURIN-6-AMINE | A | 1W1S | 0.72 | |
GVI | N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVY | 0.73 | |
HYZ | N-[1-(3-fluorobenzyl)-1H-indazol- 5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine- 4,6-diamine | A | 2RGP | 0.73 | |
KSL | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZYB | 0.71 | |
FE1 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN- 6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE- 4-CARBOXYLATE | A,B,C,D | 2QHX | 0.7 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GII | 0.74 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GIH | 0.74 | |
20A | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro- 2H-pyran-4-ylamino)-1H-pyrazolo[3,4- b]pyridine-5-carboxamide | A | 3D3P | 0.77 | |
IZ1 | N-[(1S)-2-{4-[(5S)-1,1-dioxido- 3-oxoisothiazolidin-5-yl]phenyl}- 1-(4-phenyl-1H-imidazol-2-yl)ethyl]- 3-(trifluoromethyl)benzenesulfonamide | A | 2VEU | 0.7 | |
FR5 | 1-((1R)-1-(HYDROXYMETHYL)-3-(6- ((3-(1-METHYL-1H-BENZIMIDAZOL-2- YL)PROPANOYL)AMINO)-1H-INDOL-1- YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1NDZ | 0.75 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B,C,D | 2HYY | 0.74 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B | 1IEP | 0.74 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B | 1OPJ | 0.74 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 1T46 | 0.74 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 3GVU | 0.74 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 2OIQ | 0.74 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 3FW1 | 0.74 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 2PL0 | 0.74 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 1XBB | 0.74 | |
IDZ | 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE | A | 2C3L | 0.76 | |
CQU | N-[2-(5-methyl-4H-1,2,4-triazol- 3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin- 4-amine | A | 3CQU | 0.76 | |
BGU | 2,6-diamino-1,7-dihydro-8H-imidazo[4,5- g]quinazolin-8-one | A | 2Z7K | 0.75 | |
L0F | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1F | 0.86 | |
3BA | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.78 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.81 | |
PRC | N-[4-METHYL-3-[[4-(3-PYRIDINYL)- 2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE | A,B | 1FPU | 0.77 | |
4RB | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.71 | |
QIG | N-1H-indazol-5-yl-2-(6-methylpyridin- 2-yl)quinazolin-4-amine | A | 3GXL | 0.73 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK3 | 0.85 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK7 | 0.85 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK6 | 0.85 | |
S79 | 6-amino-2-[(1-naphthylmethyl)amino]- 3,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 2QZR | 0.73 | |
BIM | BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE | A,B | 2OW3 | 0.71 | |
F10 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | X | 2P3G | 0.72 | |
SB4 | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 1BL7 | 0.7 | |
SB4 | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 3ERK | 0.7 | |
325 | N-{2,4-difluoro-3-[(5-pyridin-3- yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | A | 3C4D | 0.73 | |
FR4 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(3-PHENYLPROPANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1UML | 0.74 | |
P5C | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 0.75 | |
324 | N-{3-[(5-chloro-1H-pyrrolo[2,3- b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane- 1-sulfonamide | A,B | 3C4C | 0.7 | |
VGG | 1-tert-butyl-3-(3-methylbenzyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A | 2WEI | 0.7 | |
KS1 | 1-cyclopentyl-3-(1H-pyrrolo[2,3- b]pyridin-5-yl)-1H-pyrazolo[3,4- d]pyrimidin-4-amine | A,B | 3EN4 | 0.74 | |
NBD | N6-BENZYL-NICOTINAMIDE-ADENINE- DINUCLEOTIDE | A,B,C,D | 1GYQ | 0.7 | |
PD5 | 1-{4-[4-amino-1-(1-methylethyl)- 1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL8 | 0.75 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | H,I | 1C1U | 0.72 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1R | 0.72 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1P | 0.72 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1Q | 0.72 | |
CP9 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN- 1-YL)BENZYL]-3H-BENZOTHIAZOL-2- ONE | A | 1TV6 | 0.72 | |
C4E | N-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-amine | A,B,C,D | 3C4E | 0.73 | |
GVJ | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVZ | 0.72 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A,B | 2VQV | 0.72 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A | 2VQM | 0.72 | |
P38 | 5-methyl-4-[(2-methyl-5-{[(2-morpholin- 4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]- N-(1-phenylethenyl)pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 3BV2 | 0.74 | |
CC3 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN- 2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | A | 2NP8 | 0.73 | |
UN8 | N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YL]METHYL}PHENYL)-1-METHYL- 1H-IMIDAZOLE-4-SULFONAMIDE | A,B | 2GMV | 0.73 | |
S60 | 6-amino-2-methyl-1,7-dihydro-8H- imidazo[4,5-g]quinazolin-8-one | A | 3C2Y | 0.77 | |
POX | 4-amino-6-{[1-(3-fluorobenzyl)- 1H-indazol-5-yl]amino}pyrimidine- 5-carbaldehyde O-(2-methoxyethyl)oxime | A | 3BEL | 0.74 | |
287 | 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}- 5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG6 | 0.74 | |
406 | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)- 4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN- 1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A,B | 2E2B | 0.76 | |
L0E | 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]- 1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL- 5-YL)METHYL]MORPHOLIN-4-IUM | A | 2W1E | 0.78 | |
PB4 | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUD | 0.73 | |
C52 | 3-(2-aminoquinazolin-6-yl)-4-methyl- 1-[3-(trifluoromethyl)phenyl]pyridin- 2(1H)-one | A,B | 3CPC | 0.74 | |
L0D | 2-(1H-pyrazol-3-yl)-1H-benzimidazole | A | 2W1D | 0.75 | |
SC9 | 6-(2-fluorophenyl)-N-(pyridin-3- ylmethyl)imidazo[1,2-a]pyrazin- 8-amine | A | 2R3G | 0.72 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.81 | |
SB5 | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL- 5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE | A | 1BMK | 0.71 | |
3FR | 3'-chloro-5'-(3-methyl-6-{[(1S)- 1-phenylethyl]amino}-1H-pyrazolo[4,3- c]pyridin-1-yl)biphenyl-2-carboxamide | A | 3DBD | 0.74 | |
APJ | N~2~-1H-benzimidazol-5-yl-N~4~- (3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine- 2,4-diamine | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 3FBV | 0.76 | |
S98 | 6-amino-2-[(thiophen-2-ylmethyl)amino]- 1,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 3C2Z | 0.72 | |
FR9 | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}- 1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1O5R | 0.73 | |
RC8 | (2R)-2-({9-(1-methylethyl)-6-[(4- pyridin-2-ylbenzyl)amino]-9H-purin- 2-yl}amino)butan-1-ol | A,C | 3DDP | 0.71 | |
AYM | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL- N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE | A,B | 1LXC | 0.72 | |
003 | 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN- 1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4- D]PYRIMIDINE-4,6(5H,7H)-DIONE | A,B | 2JFZ | 0.72 | |
5BN | 5-[(2-AMINOETHYL)AMINO]-6-FLUORO- 3-(1H-PYRROL-2-YL)BENZO[CD]INDOL- 2(1H)-ONE | A | 1P2A | 0.7 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.73 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.73 | |
057 | N-(2-hydroxy-1,1-dimethylethyl)- 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin- 2-yl)-1H-indole-5-carboxamide | A,B | 3FQH | 0.75 | |
IZA | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A | 3EYH | 0.73 | |
IZA | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A,B | 2B7A | 0.73 | |
IZA | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A,B | 2J90 | 0.73 | |
356 | 8-[(3R)-3-Aminopiperidin-1-yl]- 7-but-2-yn-1-yl-3-methyl-1-[(4- methylquinazolin-2-yl)methyl]-3,7- dihydro-1H-purine-2,6-dione | A,B | 2RGU | 0.71 | |
EZV | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A,C,D | 3F5X | 0.76 | |
EZV | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A | 3EZV | 0.76 | |
PB5 | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUR | 0.71 | |
UI1 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-4-(PYRIMIDIN- 2-YLAMINO)-2-NAPHTHAMIDE | A | 1SQA | 0.71 | |
DVP | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN- 6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE- 4-CARBOXYLATE | A,B,C,D,E,F, G,H | 3H4V | 0.7 | |
IFC | N-[2-methyl-5-({[3-(4-methyl-1H- imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole- 5-carboxamide | A | 3DZQ | 0.73 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G2M | 0.7 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | B,C | 1G32 | 0.7 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G36 | 0.7 | |
MPY | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4- (4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4- C]PYRAZOLE-5(3H)-CARBOXAMIDE | A,B,C,D,E,F | 2BMC | 0.72 | |
NAJ | NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) | A | 2BGM | 0.7 | |
NAJ | NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) | A,B | 1N8K | 0.7 | |
NAJ | NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) | A | 2BGL | 0.7 | |
NAJ | NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) | A,B | 1N92 | 0.7 | |
NAJ | NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) | A,B | 1H2B | 0.7 | |
55F | N-[4-(5-fluoro-6-methylpyridin- 2-yl)-5-quinoxalin-6-yl-1H-imidazol- 2-yl]acetamide | A,B,C,D,E | 3FAA | 0.77 | |
MBB | 2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)- 5-(4-METHYL-1-PIPERAZINYL)-2,5'- BI-BENZIMIDAZOLE | B | 1QV4 | 0.73 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2I | 0.72 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2J | 0.72 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2H | 0.72 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2D | 0.72 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2E | 0.72 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z8C | 0.7 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z7L | 0.7 | |
FTB | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.74 | |
L0G | 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]- 1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4- IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL- 3-IUM | A | 2W1G | 0.77 | |
BBZ | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 447D | 0.73 | |
BBZ | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 1QV8 | 0.73 | |
LZD | 4-{[(2,6-difluorophenyl)carbonyl]amino}- N-[(3S)-piperidin-3-yl]-1H-pyrazole- 3-carboxamide | A | 2VTT | 0.71 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9B | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9C | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUG | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9A | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1T | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9D | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | H,I | 1C1V | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1S | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUK | 0.72 | |
NIL | Nilotinib | A,B,C,D | 3CS9 | 0.8 | |
NIL | Nilotinib | A | 3GP0 | 0.8 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.78 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1X | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWE | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LW0 | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HND | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1FKP | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1U | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWF | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HNY | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1VRT | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWC | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLB | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 3HVT | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLF | 0.73 | |
G95 | N-[(1S)-2-amino-1-phenylethyl]- 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene- 2-carboxamide | A,B | 3E87 | 0.72 | |
NE8 | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO- 8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | A | 1Y5V | 0.78 | |
SPP | (1-(5-METHANSULPHONAMIDO-1H-INDOL- 2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | A | 1KLM | 0.74 | |
B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A,B | 3G0F | 0.71 | |
B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A | 3G0E | 0.71 | |
U05 | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1RTH | 0.71 | |
U05 | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1RT3 | 0.71 | |
U05 | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1LW2 | 0.71 | |
SCF | 5-(2-fluorophenyl)-N-(pyridin-4- ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3I | 0.7 | |
I19 | N-(4-{[(3S)-3-(dimethylamino)pyrrolidin- 1-yl]carbonyl}phenyl)-5-fluoro- 4-[2-methyl-1-(1-methylethyl)-1H- imidazol-5-yl]pyrimidin-2-amine | A | 2W17 | 0.82 | |
IYZ | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2- B]PYRIDAZIN-3-YL}PHENYL)ETHANONE | B | 2C3I | 0.78 | |
MPZ | 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]- N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]PHENYL}BENZAMIDE | A | 1Y57 | 0.73 | |
IXH | 8-(2,3-dihydro-1H-inden-5-yl)-2- ({4-[(3R,5S)-3,5-dimethylpiperazin- 1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BEA | 0.7 | |
MUH | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN- 2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A | 2OSC | 0.76 | |
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.82 | |
C19 | 3-(2-aminoquinazolin-6-yl)-1-(3,3- dimethylindolin-6-yl)-4-methylpyridin- 2(1H)-one | A,B | 3CP9 | 0.72 | |
HBN | N-(2-NAPHTHYL)HISTIDINAMIDE | B | 1VEA | 0.73 | |
TSX | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO- 2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)- PHENYL]-ACETAMIDE | A | 1M51 | 0.75 | |
BMI | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL- 1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN- 2-YLMETHYL)AMINO]PYRIDIN-2(1H)- ONE | A | 2OJ9 | 0.84 | |
DMD | 5,6-DIMETHYLBENZIMIDAZOLE | A | 1D0S | 0.7 | |
YAM | N-methyl-N-{3-[({2-[(2-oxo-2,3- dihydro-1H-indol-5-yl)amino]-5- (trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin- 2-yl}methanesulfonamide | A | 3BZ3 | 0.75 | |
P4O | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A | 2JBO | 0.71 | |
P4O | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A,B,C,D,E,F, G,H,I,K,L | 2JBP | 0.71 | |
3JZ | N-methyl-N-{2-[({2-[(2-oxo-2,3- dihydro-1H-indol-5-yl)amino]-5- (trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide | A | 3FZR | 0.74 | |
553 | (7S)-2-(2-aminopyrimidin-4-yl)- 7-(2-fluoroethyl)-1,5,6,7-tetrahydro- 4H-pyrrolo[3,2-c]pyridin-4-one | A,B | 3DU8 | 0.8 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A | 2OWB | 0.7 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A,B | 2J4Z | 0.7 | |
SCX | N-((2-aminopyrimidin-5-yl)methyl)- 5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3M | 0.7 | |
242 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL- N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2OFV | 0.74 | |
8C5 | 8-cyclohexyl-N-methoxy-5-oxo-2- {[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}- 5,8-dihydropyrido[2,3-d]pyrimidine- 6-carboxamide | A | 3DPK | 0.7 | |
CCK | [1-(6-{6-[(1-methylethyl)amino]- 1H-indazol-1-yl}pyrazin-2-yl)-1H- pyrrol-3-yl]acetic acid | X | 3E3B | 0.74 | |
CKR | 6-amino-2-[(2-morpholin-4-ylethyl)amino]- 3,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 3C2N | 0.73 | |
GPB | N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3- D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID | A | 1E26 | 0.7 | |
IDN | (E)-N-METHYL-N-(1-METHYL-1H-INDOL- 3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO- [1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE | A,B | 1MFP | 0.71 | |
LI9 | 4-(4-FLUOROPHENYL)-1-METHYL-5-(2- {[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN- 4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO- 3H-PYRAZOL-3-ONE | A | 1YWR | 0.75 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.75 | |
C92 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.71 | |
L0I | 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]- 1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL- 6-YL)METHYL]MORPHOLIN-4-IUM | A,B | 2W1I | 0.77 | |
NEZ | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A | 1Y5W | 0.77 | |
78P | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.82 | |
PB3 | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.72 | |
KS5 | 1-(1-methylethyl)-3-quinolin-6- yl-1H-pyrazolo[3,4-d]pyrimidin- 4-amine | B | 3EN6 | 0.73 | |
PD3 | 1-{3-[(4-amino-1-cyclopentyl-1H- pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL7 | 0.75 | |
PP1 | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 2IVV | 0.7 | |
PP1 | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 1QCF | 0.7 | |
1N8 | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.75 | |
HDU | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.71 | |
344 | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5- G]QUINAZOLIN-8-ONE | A | 2BBF | 0.77 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2G | 0.74 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2H | 0.74 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2HKC | 0.74 | |
IZE | N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO- 3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}- 1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL- 2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE | A | 2CNG | 0.73 | |
IHZ | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.72 | |
RBS | N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)- ACRYLAMIDE | A,B | 2HWO | 0.71 | |
N4D | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide | A | 3CG2 | 0.78 | |
ABI | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.72 | |
187 | 1-{3-[AMINO(IMINO)METHYL]PHENYL}- N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]- 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE- 5-CARBOXAMIDE | C | 1X7A | 0.84 | |
STS | 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]- 1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM | A | 1Y8J | 0.74 | |
279 | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.75 | |
FR8 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(5-PHENYLPENTANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1QXL | 0.74 | |
LZA | {[(2,6-difluorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VTQ | 0.71 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.77 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.77 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.77 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.72 | |
AK3 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3- d]pyrimidin-7-yl)amino]ethyl}-1,3- thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | A | 3D2I | 0.76 | |
L0H | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1H | 0.86 | |
JNJ | 1-(3-amino-1,2-benzisoxazol-5-yl)- 6-(4-{2-[(dimethylamino)methyl]- 1H-imidazol-1-yl}-2-fluorophenyl)- 7-fluoro-1H-indazole-3-carboxamide | A | 2RA0 | 0.73 | |
IK8 | 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)- N-(4-{2-[(DIMETHYLAMINO)METHYL]- 1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)- 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE- 5-CARBOXAMIDE | A | 1Z6E | 0.74 | |
AM6 | 2-methyl-N-{4-methyl-3-[(2-{[4- (4-methylpiperazin-1-yl)phenyl]amino}pyrimidin- 5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide | A | 3BYU | 0.73 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.76 | |
AM5 | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin- 1-yl)phenyl]amino}pyrimidin-5-yl)- N~1~-[3-(trifluoromethyl)phenyl]benzene- 1,3-dicarboxamide | A | 3BYS | 0.74 | |
L0C | 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}- 1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL- 6-YL]METHYL}MORPHOLIN-4-IUM | A | 2W1C | 0.83 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.73 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.73 | |
P29 | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)- 2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE- 8-CARBONITRILE | A | 2PVM | 0.75 | |
RAJ | N-{3-[3-(DIMETHYLAMINO)PROPYL]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | X | 2OO8 | 0.76 | |
RAJ | N-{3-[3-(DIMETHYLAMINO)PROPYL]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | A | 3BE2 | 0.76 | |
IZZ | (2S)-2-{[3-(3-aminophenyl)imidazo[1,2- b]pyridazin-6-yl]amino}-3-methylbutan- 1-ol | A | 3F2N | 0.73 | |
YE7 | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | A | 2P98 | 0.76 | |
AM9 | 6-(2,6-dimethylphenyl)-2-{[4-(4- methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2- a]benzimidazol-5(6H)-one | A | 3BYO | 0.76 | |
BAO | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUH | 0.72 | |
BAO | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUI | 0.72 |