Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00199357
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 |
D31 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)- N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2- C]PYRAZOL-5-YL)ACETAMIDE | A | 2B55 | 0.71 | |
POX | 4-amino-6-{[1-(3-fluorobenzyl)- 1H-indazol-5-yl]amino}pyrimidine- 5-carbaldehyde O-(2-methoxyethyl)oxime | A | 3BEL | 0.72 | |
RAJ | N-{3-[3-(DIMETHYLAMINO)PROPYL]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | X | 2OO8 | 0.74 | |
RAJ | N-{3-[3-(DIMETHYLAMINO)PROPYL]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | A | 3BE2 | 0.74 | |
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 | 0.73 | |
CC3 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN- 2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | A | 2NP8 | 0.7 | |
1N8 | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.71 | |
1AU | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-naphthalen-1- ylurea | A | 3F3T | 0.74 | |
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 | 0.73 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK7 | 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 | 3DK6 | 0.73 | |
L0C | 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}- 1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL- 6-YL]METHYL}MORPHOLIN-4-IUM | A | 2W1C | 0.72 | |
NIL | Nilotinib | A,B,C,D | 3CS9 | 0.74 | |
NIL | Nilotinib | A | 3GP0 | 0.74 | |
LZA | {[(2,6-difluorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VTQ | 0.73 | |
VGG | 1-tert-butyl-3-(3-methylbenzyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A | 2WEI | 0.7 | |
PD3 | 1-{3-[(4-amino-1-cyclopentyl-1H- pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL7 | 0.79 | |
FTB | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.72 | |
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 | |
LZD | 4-{[(2,6-difluorophenyl)carbonyl]amino}- N-[(3S)-piperidin-3-yl]-1H-pyrazole- 3-carboxamide | A | 2VTT | 0.73 | |
P63 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | A | 2PVN | 0.76 | |
5SC | 3-((3-bromo-5-o-tolylpyrazolo[1,5- a]pyrimidin-7-ylamino)methyl)pyridine 1- oxide | A | 2R3Q | 0.71 | |
CL3 | N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3- B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE | A | 1Y2G | 0.72 | |
73Q | 6-CHLORO-9-HYDROXY-1,3-DIMETHYL- 1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN- 4-ONE | A,B | 2G01 | 0.72 | |
3FR | 3'-chloro-5'-(3-methyl-6-{[(1S)- 1-phenylethyl]amino}-1H-pyrazolo[4,3- c]pyridin-1-yl)biphenyl-2-carboxamide | A | 3DBD | 0.75 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GII | 0.7 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GIH | 0.7 | |
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 | 0.73 | |
T74 | N~3~-(2,6-dimethylphenyl)-1-(3- methoxy-3-methylbutyl)-N~6~-(4- piperazin-1-ylphenyl)-1H-pyrazolo[3,4- d]pyrimidine-3,6-diamine | A,B | 3EQR | 0.71 | |
CMI | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL- 1H-INDOLE-2-CARBOXYLIC ACID 3,5- DIMETHYL-BENZYLAMIDE | B | 1LQD | 0.7 | |
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 | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B | 1IEP | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B | 1OPJ | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 1T46 | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 3GVU | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 2OIQ | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 3FW1 | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 2PL0 | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 1XBB | 0.7 | |
P04 | 19-(cyclopropylamino)-4,6,7,15- tetrahydro-5H-16,1-(azenometheno)- 10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin- 8(9H)-one | A | 3BE9 | 0.78 | |
NOW | Nalpha-[(3-tert-butyl-1-methyl- 1H-pyrazol-5-yl)carbonyl]-N-[(2Z)- 2-iminoethyl]-3-methyl-L-phenylalaninamide | A,B,C,D | 3HHA | 0.77 | |
L0F | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1F | 0.73 | |
N4D | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide | A | 3CG2 | 0.79 | |
20A | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro- 2H-pyran-4-ylamino)-1H-pyrazolo[3,4- b]pyridine-5-carboxamide | A | 3D3P | 0.73 | |
MUH | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN- 2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A | 2OSC | 0.73 | |
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 | 0.71 | |
KS5 | 1-(1-methylethyl)-3-quinolin-6- yl-1H-pyrazolo[3,4-d]pyrimidin- 4-amine | B | 3EN6 | 0.7 | |
406 | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)- 4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN- 1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A,B | 2E2B | 0.75 | |
SCX | N-((2-aminopyrimidin-5-yl)methyl)- 5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3M | 0.72 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.78 | |
866 | 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)- 3,3,3-trifluoro-2-hydroxypropyl]- 1-(4-fluorophenyl)-1H-pyrazole- 4-carboxamide | A,B | 3E7C | 0.7 | |
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 | 0.73 | |
DZO | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5- a]pyrimidin-5-amine | A | 3E7V | 0.72 | |
279 | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.72 | |
IYZ | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2- B]PYRIDAZIN-3-YL}PHENYL)ETHANONE | B | 2C3I | 0.72 | |
PB4 | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUD | 0.76 | |
7IG | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2IKO | 0.7 | |
7IG | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2G24 | 0.7 | |
187 | 1-{3-[AMINO(IMINO)METHYL]PHENYL}- N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]- 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE- 5-CARBOXAMIDE | C | 1X7A | 0.77 | |
DRO | 1-(2-{[(3S)-3-(aminomethyl)-3,4- dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)- 4-chloro-5-methyl-N,N-diphenyl- 1H-pyrazole-3-carboxamide | A,B | 2W3L | 0.73 | |
N5B | N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE | A | 1VYZ | 0.73 | |
SCZ | 3-cyclopropyl-5-phenyl-N-(pyridin- 3-ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3N | 0.72 | |
LZ9 | {[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide | A | 2VTP | 0.72 | |
SCJ | 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3J | 0.71 | |
L0H | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1H | 0.73 | |
1AW | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-phenylurea | A,B | 3F3U | 0.73 | |
P19 | N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE- 2,4-DIAMINE | A | 2PVH | 0.72 | |
242 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL- N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2OFV | 0.7 | |
CCK | [1-(6-{6-[(1-methylethyl)amino]- 1H-indazol-1-yl}pyrazin-2-yl)-1H- pyrrol-3-yl]acetic acid | X | 3E3B | 0.7 | |
P45 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVK | 0.71 | |
PB3 | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.75 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.74 | |
6SC | 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3R | 0.71 | |
CT9 | 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)- 3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN- 7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE | A | 1Y91 | 0.7 | |
2PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- (5-PYRROLIDIN-2-YL-1H-PYRAZOL-3- YL)-UREA | A | 1GIJ | 0.76 | |
292 | N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)- 2-(2-NAPHTHYL)ACETAMIDE | A,C,D | 1VYW | 0.7 | |
4QC | 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL- 4-YL}-7-OXO-3-(TRIFLUOROMETHYL)- 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4- C]PYRIDIN-1-YL]BENZAMIDE | A | 2G00 | 0.79 | |
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 | 0.73 | |
P44 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVJ | 0.74 | |
PD5 | 1-{4-[4-amino-1-(1-methylethyl)- 1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL8 | 0.79 | |
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.71 | |
HYZ | N-[1-(3-fluorobenzyl)-1H-indazol- 5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine- 4,6-diamine | A | 2RGP | 0.71 | |
AYM | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL- N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE | A,B | 1LXC | 0.71 | |
618 | (3R,6R,9AR)-2,2-DIMETHYL-6-[(N- METHYL-L-ALANYL)AMINO]-N-(3-METHYL- 1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO- 2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2- A]AZEPINE-3-CARBOXAMIDE | A,B | 2I3I | 0.71 | |
P55 | 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVL | 0.72 | |
740 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN- 2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN- 1-YLPHENYL)ACETAMIDE | A | 2R64 | 0.73 | |
F29 | 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5- A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4- C]PYRIDAZIN-3-AMINE | A | 1WZY | 0.75 | |
SCF | 5-(2-fluorophenyl)-N-(pyridin-4- ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3I | 0.74 | |
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 | 0.71 | |
2SC | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5- a]pyrimidin-3-yl)methanol | A | 2R3O | 0.71 | |
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 | 0.7 | |
MPZ | 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]- N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]PHENYL}BENZAMIDE | A | 1Y57 | 0.7 | |
D15 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}- 1H-indazol-3-yl)benzamide | A,B,C,D | 2VX3 | 0.75 | |
P5C | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 0.71 |