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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00192905

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE
A1OIQ0.75
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2IZT0.79
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2CDZ0.79
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A,B2F570.79
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.71
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.71
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE
A,B,C,D2AJ80.81
12C4-[(3S)-1-AZABICYCLO[2.2.2]OCT-
3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-
YL)-6-CHLOROQUINOLIN-2(1H)-ONE
A2GDO0.7
KSMN-(2-chloro-6-methylphenyl)-8-[(3S)-
3-methylpiperazin-1-yl]imidazo[1,5-
a]quinoxalin-4-amine
A2ZM40.7
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2IZU0.76
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A,B1YOM0.76
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2Z7S0.76
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide
A3EXB0.8
JAN6-[(S)-AMINO(4-CHLOROPHENYL)(1-
METHYL-1H-IMIDAZOL-5-YL)METHYL]-
4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-
2(1H)-ONE
B1X810.71
JAN6-[(S)-AMINO(4-CHLOROPHENYL)(1-
METHYL-1H-IMIDAZOL-5-YL)METHYL]-
4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-
2(1H)-ONE
B1SA40.71
YE7IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDEA2P980.72
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.7
UN8N-(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,B2GMV0.75
OLP2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-
9-ISOPROPYLPURINE
A,B,C,D3BPR0.76
OLP2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-
9-ISOPROPYLPURINE
A2CMW0.76
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.71
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE
A1M510.81
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
A2J470.73
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.72
AP9(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
B2F2C0.75
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.72
BPG9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINEA,B1QHI0.8
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.75
3568-[(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,B2RGU0.74
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE
B,C,D,F,G,H,
I,J,K,L
1S640.76
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE
B1S630.76
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE
A1NHX0.81
LID8-(2-CHLOROPHENYLAMINO)-2-(2,6-
DIFLUOROPHENYLAMINO)-9-ETHYL-9H-
PURINE-1,7-DIIUM
A2GTM0.78
XIH2-({8-[(3R)-3-AMINOPIPERIDIN-1-
YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-
TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE
A2GBI0.76
JNO2-{4-[(4-imidazo[1,2-a]pyridin-
3-ylpyrimidin-2-yl)amino]piperidin-
1-yl}-N-methylacetamide
A3CGO0.73
IM92-{4-[4-({4-[2-methyl-1-(1-methylethyl)-
1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-
1-yl}-2-oxoethanol
A2VV90.71
LI8N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-
1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-
4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE
A1Z5M0.71
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine
A2W170.71
AM96-(2,6-dimethylphenyl)-2-{[4-(4-
methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-
a]benzimidazol-5(6H)-one
A3BYO0.71