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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01016245

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.72
BCP2-BROMO-6-CHLORO-PURINEA1M660.71
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.71
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.78
A2F2-fluoroadenineA3GOT0.77
A2F2-fluoroadenineA,B,C3GB90.77
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.78
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.78
M1A6-AMINO-1-METHYLPURINEA1B420.78
ADEADENINEA1WEI0.78
ADEADENINEA2QLU0.78
ADEADENINEA,B2H8G0.78
ADEADENINEA,B1HQC0.78
ADEADENINEA1AHA0.78
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.78
ADEADENINEA,B,D1YXM0.78
ADEADENINEA1CB00.78
ADEADENINEA,B2QTT0.78
ADEADENINEA,B,C1XE80.78
ADEADENINEA,B1M2T0.78
ADEADENINEA2P8N0.78
ADEADENINEA,B,C2PQJ0.78
ADEADENINEA,B,C1VRL0.78
ADEADENINEA,B3BSF0.78
ADEADENINEX1Y260.78
ADEADENINEA,B1ZN70.78
ADEADENINEA,B1Z5N0.78
ADEADENINEA1QB70.78
ADEADENINEA1LU10.78
ADEADENINEA,B1Q8Y0.78
ADEADENINEA2QES0.78
ADEADENINEA2PUB0.78
ADEADENINEA1Z8D0.78
ADEADENINEA1JH80.78
ADEADENINEA1QD20.78
ADEADENINEA2ICS0.78
ADEADENINEA1IFS0.78
ADEADENINEA1NLI0.78
ADEADENINEA,B1D2A0.78
ADEADENINEA1GIU0.78
ADEADENINEA1J1R0.78
ADEADENINEA2QET0.78
ADEADENINEA,B,C1OD40.78
ADEADENINEA,B1QCI0.78
ADEADENINEA,B,C,D,E,F2GA40.78
ADEADENINEA,B1JYS0.78
ADEADENINEA1LPD0.78
ADEADENINEA,B1OD20.78
ADEADENINEA1WTA0.78
ADEADENINEA,B,C1S2D0.78
ADEADENINEA1MUD0.78
ADEADENINEA2PUE0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.72
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.88
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.84
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.72
301N6-(penta-2,3-dienyl)adenineA3BW70.74
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.73
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.73
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.74
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
6AP9H-PURINE-2,6-DIAMINEA2B570.78
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.91
6GU6-chloroguanineA3FO40.74
6GU6-chloroguanineA3GOG0.74
6GU6-chloroguanineA3GER0.74
PM69H-purine-6-thiolA,B3BGD0.71
BP16-BROMO-7H-PURINEA,B,C1S2I0.73
2BP9H-purin-2-amineA3G4M0.74
6MP6-METHYLPURINEA,B,C1OU40.74
6MP6-METHYLPURINEA,B,C1OTY0.74
6MP6-METHYLPURINEA2PUA0.74
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.76
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.76