Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01082246
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 |
107 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL- 8-YLMETHYL)-AMINO]-N-PYRIDIN-2- YL-BENZENESULFONAMIDE | A,C | 1FVV | 0.7 | |
HDT | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]BENZENESULFONAMIDE | A | 1OIT | 0.87 | |
SC3 | 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN- 1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE | A,B,C,D | 2AJ8 | 0.79 | |
LI8 | N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN- 1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN- 4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE | A | 1Z5M | 0.75 | |
628 | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2- A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE | A | 1YKR | 0.71 | |
3BA | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.72 | |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.7 | |
BPG | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | A,B | 1QHI | 0.75 | |
JNF | N-cyclohexyl-4-imidazo[1,2-a]pyridin- 3-yl-N-methylpyrimidin-2-amine | A | 3CGF | 0.75 | |
LID | 8-(2-CHLOROPHENYLAMINO)-2-(2,6- DIFLUOROPHENYLAMINO)-9-ETHYL-9H- PURINE-1,7-DIIUM | A | 2GTM | 0.71 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.76 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.76 | |
JNO | 2-{4-[(4-imidazo[1,2-a]pyridin- 3-ylpyrimidin-2-yl)amino]piperidin- 1-yl}-N-methylacetamide | A | 3CGO | 0.8 | |
P5C | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 0.73 | |
IM9 | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)- 1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin- 1-yl}-2-oxoethanol | A | 2VV9 | 0.78 | |
CM6 | (2S)-2-[(2,1,3-BENZOTHIADIAZOL- 4-YLSULFONYL)AMINO]-2-PHENYL-N- PYRIDIN-4-YLACETAMIDE | A | 2CIB | 0.71 | |
FR9 | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}- 1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1O5R | 0.72 | |
A94 | N-[(2-AMINO-6-METHYLPYRIMIDIN-4- YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN- 3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | A,B | 2QG0 | 0.72 | |
P1E | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}- 5-(trifluoromethyl)pyrimidin-2- yl]amino}-N-methylbenzenesulfonamide | A | 3H3C | 0.76 | |
ED4 | tert-butyl 4-({(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(1- methyl-1H-imidazol-4-yl)sulfonyl]amino}methyl)piperidine- 1-carboxylate | B | 3E30 | 0.71 | |
YE7 | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | A | 2P98 | 0.72 | |
D91 | 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN- 4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN- 1-YL}SULFONYL)-1H-INDOLE | A | 1WU1 | 0.74 | |
ED7 | N-benzyl-N-(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)- 2-methylbenzenesulfonamide | B | 3E33 | 0.71 | |
I11 | [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN- 4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | H | 1UVS | 0.71 | |
FR4 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(3-PHENYLPROPANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1UML | 0.7 | |
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 | 0.79 | |
GDV | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7- DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL- 1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2- A]PYRIDINE-2-CARBOXAMIDE | A | 2J47 | 0.74 | |
N31 | N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl- L-alanyl-L-alaninamide | A | 3EXB | 0.79 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.7 | |
9DA | 9-DEAZAADENINE | A | 1L1Q | 0.7 | |
HP1 | IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE | A,B | 407D | 0.73 | |
FRV | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H- IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}- N-METHYLBENZENESULFONAMIDE | A | 2W06 | 0.82 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A,C | 2C5N | 0.7 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A | 1PXP | 0.7 | |
T15 | 2-{3-[(benzylsulfonyl)amino]-6- methyl-2-oxopyridin-1(2H)-yl}-N- ({1-[2-(tert-butylamino)-2-oxoethyl]- 4-methyl-1H-imidazol-5-yl}methyl)acetamide | A,B | 3C1K | 0.73 | |
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 | 0.7 | |
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 | 0.72 | |
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 | |
PB5 | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUR | 0.71 | |
XIH | 2-({8-[(3R)-3-AMINOPIPERIDIN-1- YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6- TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE | A | 2GBI | 0.75 | |
NIL | Nilotinib | A,B,C,D | 3CS9 | 0.72 | |
NIL | Nilotinib | A | 3GP0 | 0.72 | |
HM5 | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]- N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE | A | 2NQ7 | 0.73 | |
FRT | N-(2-METHOXYETHYL)-4-({4-[2-METHYL- 1-(1-METHYLETHYL)-1H-IMIDAZOL-5- YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | A | 2W05 | 0.82 | |
AD5 | N~6~-cyclohexyl-N~2~-(4-morpholin- 4-ylphenyl)-9H-purine-2,6-diamine | A,B | 2VGO | 0.7 | |
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 | 0.78 | |
CP9 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN- 1-YL)BENZYL]-3H-BENZOTHIAZOL-2- ONE | A | 1TV6 | 0.74 | |
CYE | B | 1PQQ | 0.7 | ||
IIP | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 365D | 0.74 | |
HM4 | TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN- 3-YL}CARBAMATE | A | 2NQ6 | 0.7 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.72 | |
FTB | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.76 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A,B | 2VQV | 0.71 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A | 2VQM | 0.71 | |
KSL | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZYB | 0.7 | |
GAX | 1-{3-[(4-pyridin-2-ylpiperazin- 1-yl)sulfonyl]phenyl}-3-(1,3-thiazol- 2-yl)urea | A | 2RHQ | 0.74 | |
GAX | 1-{3-[(4-pyridin-2-ylpiperazin- 1-yl)sulfonyl]phenyl}-3-(1,3-thiazol- 2-yl)urea | A,B,C,D | 2RHS | 0.74 | |
1IG | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1N | 0.71 | |
1MS | N-[(4-methylpyrimidin-2-yl)carbamoyl]- 2-nitrobenzenesulfonamide | A | 3E9Y | 0.74 | |
PY8 | 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA- 1(18),3(19),4,6,14,16-HEXAENE 13,13- DIOXIDE | A | 2J9M | 0.73 | |
SPP | (1-(5-METHANSULPHONAMIDO-1H-INDOL- 2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | A | 1KLM | 0.74 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.73 | |
349 | 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}- 5-(trifluoromethyl)pyrimidin-2- yl]amino}-1,3-dihydro-2H-indol- 2-one | A | 3ET7 | 0.76 | |
PRC | N-[4-METHYL-3-[[4-(3-PYRIDINYL)- 2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE | A,B | 1FPU | 0.71 | |
C02 | 4-(5-BENZENESULFONYLAMINO-1-METHYL- 1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | B,C | 1KTT | 0.73 | |
24A | {[(4-{[2-(4-AMINOCYCLOHEXYL)-9- ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | A,B | 2BDF | 0.7 | |
255 | N-(tert-butyl)-4-[5-(pyridin-2- ylamino)quinolin-3-yl]benzenesulfonamide | A,B | 2R9S | 0.71 | |
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 | 0.73 | |
LZ4 | 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide | A | 2VTJ | 0.71 | |
SB4 | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 1BL7 | 0.71 | |
SB4 | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 3ERK | 0.71 | |
U55 | 4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | A | 1JSV | 0.74 | |
BMI | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL- 1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN- 2-YLMETHYL)AMINO]PYRIDIN-2(1H)- ONE | A | 2OJ9 | 0.74 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2IZT | 0.7 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2CDZ | 0.7 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A,B | 2F57 | 0.7 | |
BII | 2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY- 4-[(3R)-3-(METHYLAMINO)PYRROLIDIN- 1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN- 4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE | A | 2JKM | 0.75 | |
TSX | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO- 2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)- PHENYL]-ACETAMIDE | A | 1M51 | 0.77 | |
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 | |
LQQ | 6-ACETYL-8-CYCLOPENTYL-5-METHYL- 2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3- D]PYRIMIDIN-7(8H)-ONE | A,B | 2EUF | 0.73 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 408D | 0.72 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 1CVY | 0.72 | |
PB9 | methyl 4-{[{(3S)-6-cyano-1-[(1- methyl-1H-imidazol-5-yl)methyl]- 1,2,3,4-tetrahydroquinolin-3-yl}(pyridin- 2-ylsulfonyl)amino]methyl}piperidine- 1-carboxylate | B | 2R2L | 0.71 | |
I1P | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | A | 1URW | 0.85 | |
ED5 | tert-butyl 4-({(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(2- methylphenyl)sulfonyl]amino}methyl)piperidine- 1-carboxylate | B | 3E37 | 0.72 | |
P11 | IMIDAZOLE-PYRROLE-BETA ALANINE- IMIDAZOLE-BETA ALANINE-IMIDAZOLE- PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE | A | 1LEJ | 0.72 | |
685 | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin- 4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]- 4-methyl-1,3-thiazole-5-carboxamide | A | 3EMG | 0.7 | |
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 | 0.83 | |
HDU | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.79 | |
MPZ | 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]- N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]PHENYL}BENZAMIDE | A | 1Y57 | 0.7 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.71 | |
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 | 0.72 | |
VX6 | CYCLOPROPANECARBOXYLIC ACID {4- [4-(4-METHYL-PIPERAZIN-1-YL)-6- (5-METHYL-2H-PYRAZOL-3-YLAMINO)- PYRIMIDIN-2-YLSULFANYL]-PHENYL}- AMIDE | A | 3E5A | 0.7 | |
VX6 | CYCLOPROPANECARBOXYLIC ACID {4- [4-(4-METHYL-PIPERAZIN-1-YL)-6- (5-METHYL-2H-PYRAZOL-3-YLAMINO)- PYRIMIDIN-2-YLSULFANYL]-PHENYL}- AMIDE | A | 2F4J | 0.7 |