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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02388161

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BCP2-BROMO-6-CHLORO-PURINEA1M660.81
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.81
6MP6-METHYLPURINEA,B,C1OU40.81
6MP6-METHYLPURINEA,B,C1OTY0.81
6MP6-METHYLPURINEA2PUA0.81
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.76
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.72
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.85
ADEADENINEA1WEI0.86
ADEADENINEA2QLU0.86
ADEADENINEA,B2H8G0.86
ADEADENINEA,B1HQC0.86
ADEADENINEA1AHA0.86
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.86
ADEADENINEA,B,D1YXM0.86
ADEADENINEA1CB00.86
ADEADENINEA,B2QTT0.86
ADEADENINEA,B,C1XE80.86
ADEADENINEA,B1M2T0.86
ADEADENINEA2P8N0.86
ADEADENINEA,B,C2PQJ0.86
ADEADENINEA,B,C1VRL0.86
ADEADENINEA,B3BSF0.86
ADEADENINEX1Y260.86
ADEADENINEA,B1ZN70.86
ADEADENINEA,B1Z5N0.86
ADEADENINEA1QB70.86
ADEADENINEA1LU10.86
ADEADENINEA,B1Q8Y0.86
ADEADENINEA2QES0.86
ADEADENINEA2PUB0.86
ADEADENINEA1Z8D0.86
ADEADENINEA1JH80.86
ADEADENINEA1QD20.86
ADEADENINEA2ICS0.86
ADEADENINEA1IFS0.86
ADEADENINEA1NLI0.86
ADEADENINEA,B1D2A0.86
ADEADENINEA1GIU0.86
ADEADENINEA1J1R0.86
ADEADENINEA2QET0.86
ADEADENINEA,B,C1OD40.86
ADEADENINEA,B1QCI0.86
ADEADENINEA,B,C,D,E,F2GA40.86
ADEADENINEA,B1JYS0.86
ADEADENINEA1LPD0.86
ADEADENINEA,B1OD20.86
ADEADENINEA1WTA0.86
ADEADENINEA,B,C1S2D0.86
ADEADENINEA1MUD0.86
ADEADENINEA2PUE0.86
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.75
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.75
LG3PYRIMIDINE-2,4-DIAMINEA2EUN0.74
PM69H-purine-6-thiolA,B3BGD0.78
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.72
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.84
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.81
BP16-BROMO-7H-PURINEA,B,C1S2I0.8
9DA9-DEAZAADENINEA1L1R0.72
9DA9-DEAZAADENINEA1L1Q0.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.72
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.72
A2F2-fluoroadenineA3GOT0.85
A2F2-fluoroadenineA,B,C3GB90.85
PURPURINE RIBOSIDEA1FKW0.71
PURPURINE RIBOSIDEA1UIP0.71
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.79
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.8
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.78
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.82
6AP9H-PURINE-2,6-DIAMINEA2B570.86
6GU6-chloroguanineA3FO40.84
6GU6-chloroguanineA3GOG0.84
6GU6-chloroguanineA3GER0.84
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.83
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.83
M1A6-AMINO-1-METHYLPURINEA1B420.83
301N6-(penta-2,3-dienyl)adenineA3BW70.83
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.75
4MZ4-METHYLIMIDAZOLEA1DTM0.74
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.74
4MZ4-METHYLIMIDAZOLEA2FNN0.74
4MZ4-METHYLIMIDAZOLEA1MOO0.74
4MZ4-METHYLIMIDAZOLEA1G0E0.74
2BP9H-purin-2-amineA3G4M0.96
3MA6-AMINO-3-METHYLPURINEA3MAG0.83
HSMHISTAMINEA,B1U180.72
HSMHISTAMINEA1AVN0.72
HSMHISTAMINEA,B1KAR0.72
HSMHISTAMINEA,B1NP10.72
HSMHISTAMINEA,B1JQD0.72
HSMHISTAMINEA,B2QEB0.72
HSMHISTAMINEA,B1QFV0.72
HSMHISTAMINEA1IKE0.72
HSMHISTAMINEA3BU10.72
HSMHISTAMINEA,B1QFT0.72