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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00514742

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.73
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.75
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.74
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.73
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.71
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.7
301N6-(penta-2,3-dienyl)adenineA3BW70.73
6AP9H-PURINE-2,6-DIAMINEA2B570.83
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.78
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.75
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.75
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.7
PM69H-purine-6-thiolA,B3BGD0.75
3MA6-AMINO-3-METHYLPURINEA3MAG0.81
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.7
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.73
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.83
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.71
9MG9-METHYLGUANINEA1RRW0.7
6MP6-METHYLPURINEA,B,C1OU40.77
6MP6-METHYLPURINEA,B,C1OTY0.77
6MP6-METHYLPURINEA2PUA0.77
BP16-BROMO-7H-PURINEA,B,C1S2I0.77
M1A6-AMINO-1-METHYLPURINEA1B420.81
A2F2-fluoroadenineA3GOT0.81
A2F2-fluoroadenineA,B,C3GB90.81
6GU6-chloroguanineA3FO40.78
6GU6-chloroguanineA3GOG0.78
6GU6-chloroguanineA3GER0.78
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
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.83
2BP9H-purin-2-amineA3G4M0.75
BCP2-BROMO-6-CHLORO-PURINEA1M660.75
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.75