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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02303388

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
301N6-(penta-2,3-dienyl)adenineA3BW70.78
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.73
BCP2-BROMO-6-CHLORO-PURINEA1M660.76
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.76
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.73
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.8
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.73
6MP6-METHYLPURINEA,B,C1OU40.79
6MP6-METHYLPURINEA,B,C1OTY0.79
6MP6-METHYLPURINEA2PUA0.79
3DH5'-S-ethyl-5'-thioadenosineA,B,C,D3DHY0.71
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.79
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.9
6AP9H-PURINE-2,6-DIAMINEA2B570.83
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B1Z5O0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3B7P0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6M0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA3FUW0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3FUX0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C2HTE0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C1JDT0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1CG60.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O060.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA2IPX0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D2E5W0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2YY80.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D,E,F,
G,H,I,J,K,L		2A8Y0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1EG20.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6K0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O070.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O050.7
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.7
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.73
BP16-BROMO-7H-PURINEA,B,C1S2I0.78
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine		A,B3H0V0.71
2BP9H-purin-2-amineA3G4M0.77
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.8
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.71
M1A6-AMINO-1-METHYLPURINEA1B420.83
6GU6-chloroguanineA3FO40.78
6GU6-chloroguanineA3GOG0.78
6GU6-chloroguanineA3GER0.78
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.76
ADEADENINEA1WEI0.83
ADEADENINEA2QLU0.83
ADEADENINEA,B2H8G0.83
ADEADENINEA,B1HQC0.83
ADEADENINEA1AHA0.83
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.83
ADEADENINEA,B,D1YXM0.83
ADEADENINEA1CB00.83
ADEADENINEA,B2QTT0.83
ADEADENINEA,B,C1XE80.83
ADEADENINEA,B1M2T0.83
ADEADENINEA2P8N0.83
ADEADENINEA,B,C2PQJ0.83
ADEADENINEA,B,C1VRL0.83
ADEADENINEA,B3BSF0.83
ADEADENINEX1Y260.83
ADEADENINEA,B1ZN70.83
ADEADENINEA,B1Z5N0.83
ADEADENINEA1QB70.83
ADEADENINEA1LU10.83
ADEADENINEA,B1Q8Y0.83
ADEADENINEA2QES0.83
ADEADENINEA2PUB0.83
ADEADENINEA1Z8D0.83
ADEADENINEA1JH80.83
ADEADENINEA1QD20.83
ADEADENINEA2ICS0.83
ADEADENINEA1IFS0.83
ADEADENINEA1NLI0.83
ADEADENINEA,B1D2A0.83
ADEADENINEA1GIU0.83
ADEADENINEA1J1R0.83
ADEADENINEA2QET0.83
ADEADENINEA,B,C1OD40.83
ADEADENINEA,B1QCI0.83
ADEADENINEA,B,C,D,E,F2GA40.83
ADEADENINEA,B1JYS0.83
ADEADENINEA1LPD0.83
ADEADENINEA,B1OD20.83
ADEADENINEA1WTA0.83
ADEADENINEA,B,C1S2D0.83
ADEADENINEA1MUD0.83
ADEADENINEA2PUE0.83
PM69H-purine-6-thiolA,B3BGD0.83
A2F2-fluoroadenineA3GOT0.82
A2F2-fluoroadenineA,B,C3GB90.82
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.79
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.73
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.7
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.8
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.8
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.8
3MA6-AMINO-3-METHYLPURINEA3MAG0.83