Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00223594
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 | ![]() |
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 | 0.71 | ![]() |
4HI![]() | (3R,5R)-7-[4-(benzylcarbamoyl)- 2-(4-fluorophenyl)-5-(1-methylethyl)- 1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid | B,C,D | 3CCW | 0.73 | ![]() |
G14![]() | 2-phenyl-1H-imidazole-4-carboxylic acid | A,B | 3GRJ | 0.71 | ![]() |
BOZ![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC | A | 1XUJ | 0.7 | ![]() |
NE8![]() | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO- 8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | A | 1Y5V | 0.71 | ![]() |
12C![]() | 4-[(3S)-1-AZABICYCLO[2.2.2]OCT- 3-YLAMINO]-3-(1H-BENZIMIDAZOL-2- YL)-6-CHLOROQUINOLIN-2(1H)-ONE | A | 2GDO | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 1PJ6 | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RD7 | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1DHF | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A,B,C,D,E | 1QZF | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A | 4CD2 | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX7 | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX2 | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX8 | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A | 1RA2 | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RE7 | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A | 7DFR | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A | 1VIF | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RB2 | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A | 1CD2 | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A | 2CD2 | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1DYI | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A | 1DRF | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A,B,C,D | 3BMC | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A,B | 2D0K | 0.71 | ![]() |
FOL![]() | FOLIC ACID | A | 1RA8 | 0.71 | ![]() |
AAI![]() | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.75 | ![]() |
BPG![]() | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | A,B | 1QHI | 0.75 | ![]() |
PRC![]() | N-[4-METHYL-3-[[4-(3-PYRIDINYL)- 2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE | A,B | 1FPU | 0.7 | ![]() |
IYZ![]() | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2- B]PYRIDAZIN-3-YL}PHENYL)ETHANONE | B | 2C3I | 0.71 | ![]() |
LIR![]() | 2-[(3S)-3-AMINOPIPERIDIN-1-YL]- 1-(2-CYANOBENZYL)-5-METHYL-4,6- DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4- D]IMIDAZOL-1-IUM | A | 2I3Z | 0.8 | ![]() |
TSX![]() | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO- 2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)- PHENYL]-ACETAMIDE | A | 1M51 | 0.8 | ![]() |
5HI![]() | (3R,5R)-7-[2-(4-fluorophenyl)-4- {[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}- 5-(1-methylethyl)-1H-imidazol-1- yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 3CCZ | 0.73 | ![]() |
8FG![]() | N-(5'-PHOSPHO-2'-DEOXYGUANOSIN- 8-YL)-2-ACETYLAMINOFLUORENE | A,C,D | 1X9M | 0.71 | ![]() |
P5C![]() | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 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 | 0.72 | ![]() |
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 | 0.75 | ![]() |
GSS![]() | A | 1AP1 | 0.7 | ![]() | |
FR9![]() | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}- 1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1O5R | 0.72 | ![]() |
FTH![]() | 1-[2-(4-CYANO-BENZYLAMINO)-3-(3- METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]- 5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO- PYRIDINE-4-CARBONITRILE | B | 1N95 | 0.79 | ![]() |
RMC![]() | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 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 | 0.72 | ![]() |
251![]() | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.7 | ![]() |
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 | 0.71 | ![]() |
S79![]() | 6-amino-2-[(1-naphthylmethyl)amino]- 3,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 2QZR | 0.72 | ![]() |
C24![]() | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.72 | ![]() |
78P![]() | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.74 | ![]() |
PB4![]() | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUD | 0.73 | ![]() |
IH3![]() | 2-(2,2-DIPHENYL-ETHYL)-7-METHYL- 1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H- [1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE- 5-CARBOXYLIC ACID [4-(2-AMINO-3H- IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE | 2,3 | 1C4Y | 0.75 | ![]() |
FR2![]() | 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1NDW | 0.73 | ![]() |
SC3![]() | 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN- 1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE | A,B,C,D | 2AJ8 | 0.83 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G2M | 0.72 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | B,C | 1G32 | 0.72 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G36 | 0.72 | ![]() |
FR3![]() | 1-((1R)-1-(HYDROXYMETHYL)-3-(1- NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4- CARBOXAMIDE | A | 1NDY | 0.75 | ![]() |
N2G![]() | A,P,T | 2W8K | 0.73 | ![]() | |
N2G![]() | A,P,T | 2W8L | 0.73 | ![]() | |
HBN![]() | N-(2-NAPHTHYL)HISTIDINAMIDE | B | 1VEA | 0.76 | ![]() |
FR6![]() | 1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 2E1W | 0.75 | ![]() |
NIL![]() | Nilotinib | A,B,C,D | 3CS9 | 0.72 | ![]() |
NIL![]() | Nilotinib | A | 3GP0 | 0.72 | ![]() |
S60![]() | 6-amino-2-methyl-1,7-dihydro-8H- imidazo[4,5-g]quinazolin-8-one | A | 3C2Y | 0.7 | ![]() |
IZA![]() | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A | 3EYH | 0.75 | ![]() |
IZA![]() | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A,B | 2B7A | 0.75 | ![]() |
IZA![]() | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A,B | 2J90 | 0.75 | ![]() |
JNO![]() | 2-{4-[(4-imidazo[1,2-a]pyridin- 3-ylpyrimidin-2-yl)amino]piperidin- 1-yl}-N-methylacetamide | A | 3CGO | 0.71 | ![]() |
YE7![]() | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | A | 2P98 | 0.78 | ![]() |
JAN![]() | 6-[(S)-AMINO(4-CHLOROPHENYL)(1- METHYL-1H-IMIDAZOL-5-YL)METHYL]- 4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN- 2(1H)-ONE | B | 1X81 | 0.72 | ![]() |
JAN![]() | 6-[(S)-AMINO(4-CHLOROPHENYL)(1- METHYL-1H-IMIDAZOL-5-YL)METHYL]- 4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN- 2(1H)-ONE | B | 1SA4 | 0.72 | ![]() |
BMI![]() | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL- 1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN- 2-YLMETHYL)AMINO]PYRIDIN-2(1H)- ONE | A | 2OJ9 | 0.75 | ![]() |
PB3![]() | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.74 | ![]() |
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 | 0.76 | ![]() |
199![]() | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.73 | ![]() |
CF2![]() | 2'-deoxy-5'-O-{[2-(7,8-dimethyl- 2,4-dioxo-3,4-dihydrobenzo[g]pteridin- 10(2H)-yl)ethyl]carbamoyl}guanosine | A | 2VKF | 0.71 | ![]() |
1N8![]() | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.7 | ![]() |
FR8![]() | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(5-PHENYLPENTANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1QXL | 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 | 0.7 | ![]() |
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 | 0.72 | ![]() |
3BA![]() | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.71 | ![]() |
FTB![]() | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.79 | ![]() |
N31![]() | N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl- L-alanyl-L-alaninamide | A | 3EXB | 0.75 | ![]() |
ILT![]() | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.7 | ![]() |
ILT![]() | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.7 | ![]() |
C19![]() | 3-(2-aminoquinazolin-6-yl)-1-(3,3- dimethylindolin-6-yl)-4-methylpyridin- 2(1H)-one | A,B | 3CP9 | 0.72 | ![]() |
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 | ![]() |
NAZ![]() | N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN- 2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7- OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN- 2-YL)METHYL]-BETA-ALANINAMIDE | A,B | 1X26 | 0.72 | ![]() |
KSL![]() | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZYB | 0.72 | ![]() |
RRC![]() | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.7 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 1YGK | 0.7 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 1UNL | 0.7 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 2A4L | 0.7 | ![]() |
BC3![]() | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.72 | ![]() |
GSR![]() | A | 1AF1 | 0.7 | ![]() | |
FR4![]() | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(3-PHENYLPROPANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1UML | 0.71 | ![]() |
NEZ![]() | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A | 1Y5W | 0.72 | ![]() |
PM1![]() | [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)- IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL- METHANONE | A | 1PYE | 0.75 | ![]() |
BO2![]() | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]- N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | 2,H,K,N,V,Y | 2F16 | 0.7 | ![]() |
FTI![]() | 1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL- 4-YL]-ACETYL}-5-NAPHTHALEN-1-YL- 1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE | B | 1N9A | 0.76 | ![]() |
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 | 0.71 | ![]() |
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 | 0.82 | ![]() |
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 | ![]() |
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 | 0.78 | ![]() |
FXG![]() | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.73 | ![]() |
406![]() | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)- 4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN- 1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A,B | 2E2B | 0.72 | ![]() |
LUM![]() | LUMICHROME | A | 2CC6 | 0.71 | ![]() |
LUM![]() | LUMICHROME | A,B | 1S4M | 0.71 | ![]() |
LUM![]() | LUMICHROME | A | 2CC7 | 0.71 | ![]() |
LUM![]() | LUMICHROME | A | 1HE5 | 0.71 | ![]() |
I17![]() | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]- 6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE | A | 1G5S | 0.73 | ![]() |