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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03076719

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,C,D1JQ30.72
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,B,C2I7C0.72
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.73
5AD5'-DEOXYADENOSINEB1XRS0.73
5AD5'-DEOXYADENOSINEA,B,C2CC20.73
5AD5'-DEOXYADENOSINEA,B2FB30.73
5AD5'-DEOXYADENOSINEA3CI30.73
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.73
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE
A,B2P8D0.74
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1CG10.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1CG40.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1CG30.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1LON0.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA,B1LNY0.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1CG00.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1P9B0.71
UN45-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-
2-PYRROLIDINONE
A1H0V0.74
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEF0.74
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEG0.74
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,T2JEI0.74
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEJ0.74
DOI9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-
9H-PURINE
A2DGN0.71
DOI9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-
9H-PURINE
A2GCQ0.71
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine
A,B3DZ50.72
R6C(2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-
9H-PURIN-2-YL]AMINO}BUTAN-1-OL
A1YHJ0.79
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE
A,B1A7A0.78
CMG6-O-CYCLOHEXYLMETHYL GUANINEA,C1H1P0.77
CMG6-O-CYCLOHEXYLMETHYL GUANINEA1E1V0.77
RGT2-amino-9-{5-O-[(R)-hydroxy{[(R)-
hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-
beta-D-ribofuranosyl}-9H-purin-
6-yl 5-O-phosphono-beta-D-ribofuranoside
A,B3DZI0.73
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.7
MAOA1I720.72
M8E5'-{[4-(aminooxy)butyl](methyl)amino}-
5'-deoxy-8-ethenyladenosine
A,B3DZ60.73
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1D850.8
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B130D0.8
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B144D0.8
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B128D0.8
6OGA,B,C,D,E,F2HHW0.79
6OGA,B,C,D,E,F2HVH0.79
6OGA,B1D240.79
6OGA,T2J6S0.79
6OGA,C2HW30.79
6OGA,T2J6T0.79
6OGA,P,T2J6U0.79
6OGA,C2HHT0.79
6OGA,B218D0.79
6OGA,C2HHX0.79
6OGA,B2HHQ0.79
6OGA,C2HHV0.79
6OGA,B,E2O8C0.79
6OGA,B153D0.79
6OGB1T380.79
6OGA,B2HHS0.79
6OGA,C2HHU0.79
6OGA,B1D270.79
6GO6-O-methylguanineA3FO60.71
6GO6-O-methylguanineA3GES0.71
MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-
6-YL)OXY]-3-METHYL-2-BUTANOL
A1GZ80.75
N206-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINEA,B,C,D1OI90.7
N696-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-
9H-PURIN-2-AMINE
A1W8C0.74
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
A,B2H0N0.74
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.72
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL
A1GPJ0.72
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine
A,B3DZ20.72
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.71
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.71
NOSINOSINEA,B,C1PR00.72
NOSINOSINEA,B1KIC0.72
NOSINOSINEA,B,C,D3B9X0.72
NOSINOSINEE1RCT0.72
NOSINOSINEA2FQW0.72
NOSINOSINEA1Z380.72
NOSINOSINEA1A9S0.72
NOSINOSINEA2BSX0.72
G934-{2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-1-ethyl-7-[(3S)-
piperidin-3-ylmethoxy]-1H-imidazo[4,5-
c]pyridin-4-yl}-2-methylbut-3-en-
2-ol
A,B3D0E0.71
PG7((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-
9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-
2-YL)METHYL DIHYDROGEN PHOSPHATE
A,B1R4D0.71
PG7((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-
9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-
2-YL)METHYL DIHYDROGEN PHOSPHATE
A2JAO0.71
PG7((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-
9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-
2-YL)METHYL DIHYDROGEN PHOSPHATE
B1S9O0.71
2A62-ANILINO-6-CYCLOHEXYLMETHOXYPURINEA,C1H1Q0.71