Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01235636
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 |
AD5![]() | N~6~-cyclohexyl-N~2~-(4-morpholin- 4-ylphenyl)-9H-purine-2,6-diamine | A,B | 2VGO | 0.74 | ![]() |
DF1![]() | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3- D]PYRIMIDIN-4-YL)AMINO]PROPAN-2- OL | A | 2BRN | 0.71 | ![]() |
QQQ![]() | 1-(1-methylethyl)-1H-benzimidazole- 2-sulfonic acid | A,B,C,D | 3GNC | 0.72 | ![]() |
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 | 0.7 | ![]() |
TQ6![]() | 5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)- 2,4-QUINAZOLINEDIAMINE | A,B | 1IA4 | 0.76 | ![]() |
TQ3![]() | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE | A,B | 1IA1 | 0.72 | ![]() |
MQU![]() | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]- 7H-PYRROLO[3,2-F] QUINAZOLINE-1,3- DIAMINE | A,B | 1M7A | 0.71 | ![]() |
D94![]() | 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]- 1-(2-phenylquinolin-7-yl)imidazo[1,5- a]pyrazin-8-amine | A | 3D94 | 0.7 | ![]() |
TDI![]() | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN- 3-OL | A,B | 1Y6Q | 0.7 | ![]() |
DLI![]() | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN- 4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | B | 2OAG | 0.73 | ![]() |
DF9![]() | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin- 3-ol | A,B | 3DF9 | 0.74 | ![]() |
CP9![]() | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN- 1-YL)BENZYL]-3H-BENZOTHIAZOL-2- ONE | A | 1TV6 | 0.75 | ![]() |
BIG![]() | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin- 3-ol | A,C | 3DP9 | 0.71 | ![]() |
I24![]() | 2-butoxy-9-(2,6-difluorobenzyl)- N-(2-morpholin-4-ylethyl)-9H-purin- 6-amine | A,B | 2VVT | 0.7 | ![]() |
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 | 0.73 | ![]() |
TQ4![]() | 5-[(4-METHYLPHENYL)SULFANYL]-2,4- QUINAZOLINEDIAMINE | A,B | 1IA2 | 0.71 | ![]() |
RMC![]() | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.73 | ![]() |
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 | 0.71 | ![]() |
OLO![]() | OLOMOUCINE | A | 4ERK | 0.74 | ![]() |
OLO![]() | OLOMOUCINE | C | 1W0X | 0.74 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2IZT | 0.72 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2CDZ | 0.72 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A,B | 2F57 | 0.72 | ![]() |
D1B![]() | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE | A | 1VZK | 0.7 | ![]() |
HDT![]() | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]BENZENESULFONAMIDE | A | 1OIT | 0.78 | ![]() |
RC8![]() | (2R)-2-({9-(1-methylethyl)-6-[(4- pyridin-2-ylbenzyl)amino]-9H-purin- 2-yl}amino)butan-1-ol | A,C | 3DDP | 0.75 | ![]() |
24A![]() | {[(4-{[2-(4-AMINOCYCLOHEXYL)-9- ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | A,B | 2BDF | 0.72 | ![]() |
AP9![]() | (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | B | 2F2C | 0.73 | ![]() |
PMD![]() | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]- DIBENZ[B,F]AZEPINE | A | 1KLK | 0.71 | ![]() |
FRT![]() | N-(2-METHOXYETHYL)-4-({4-[2-METHYL- 1-(1-METHYLETHYL)-1H-IMIDAZOL-5- YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | A | 2W05 | 0.77 | ![]() |
SB2![]() | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 2EWA | 0.71 | ![]() |
SB2![]() | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 1A9U | 0.71 | ![]() |
SB2![]() | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 1PME | 0.71 | ![]() |
DF2![]() | (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7- DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN- 4-YLIDENE]AMINO}PROPANE-1,2-DIOL | A | 2BRO | 0.7 | ![]() |
P01![]() | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A | 2IZU | 0.74 | ![]() |
P01![]() | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A,B | 1YOM | 0.74 | ![]() |
P01![]() | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A | 2Z7S | 0.74 | ![]() |
C02![]() | 4-(5-BENZENESULFONYLAMINO-1-METHYL- 1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | B,C | 1KTT | 0.77 | ![]() |
D13![]() | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | A | 1IAN | 0.71 | ![]() |
NU5![]() | 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)- 9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN- 1-OL | A,C | 2G9X | 0.72 | ![]() |
FRV![]() | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H- IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}- N-METHYLBENZENESULFONAMIDE | A | 2W06 | 0.74 | ![]() |
MA9![]() | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN- 4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 3-AMINE | A | 2OQV | 0.7 | ![]() |
2IG![]() | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.72 | ![]() |
RRC![]() | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.73 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 1YGK | 0.73 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 1UNL | 0.73 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 2A4L | 0.73 | ![]() |
DFZ![]() | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | A | 2BRM | 0.72 | ![]() |
I1P![]() | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | A | 1URW | 0.74 | ![]() |