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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02372472

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.72
CL92-chloro-2'-deoxyadenosineA,B2ZI90.72
RRCR-ROSCOVITINEA,B,C,D3DDQ0.71
RRCR-ROSCOVITINEA1YGK0.71
RRCR-ROSCOVITINEA1UNL0.71
RRCR-ROSCOVITINEA2A4L0.71
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C3GGS0.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A1Z340.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C1PKE0.7
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.72
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6I0.7
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6L0.7
5CD5'-CHLORO-5'-DEOXYADENOSINEA,B,C2C2W0.7
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C1S2G0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C2C5H0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2Z3M0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI60.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2ZI30.71
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.74
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE
A,B2P8D0.86
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.73
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE
A,B1A7A0.77
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2IZU0.72
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A,B1YOM0.72
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2Z7S0.72
NOC3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
CYCLOPENTANE-1,2-DIOL
A1LI40.76
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE
A2A7Q0.71
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
A,B2H0N0.86
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL
A1YGJ0.71
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA1EXL0.75
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA,B1FYI0.75
XAD9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-
D-ERYTHRO-HEXOPYRANOSYL)-9H-PURIN-
6-AMINE
A,B2H9S0.7
6HA1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
B1EJZ0.7
6HA1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
A,B,C,D,E,G2BJ60.7
6HA1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
A481D0.7
6HA1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
A1D7Z0.7
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A2ZI40.71
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI50.71
3AD3'-DEOXYADENOSINEA,B3B4B0.7
3AD3'-DEOXYADENOSINEA,B3B4C0.7
3AD3'-DEOXYADENOSINEA,B1FA00.7
AP9(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
B2F2C0.72
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE
A,B,C1PR20.71
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE
A,B,C1OVG0.71
ARJ(2S,3R,5R)-3-(6-amino-9H-purin-
9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone
A,B,C,D2ZJ10.71