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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02257618

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6MP6-METHYLPURINEA,B,C1OU40.88
6MP6-METHYLPURINEA,B,C1OTY0.88
6MP6-METHYLPURINEA2PUA0.88
BCP2-BROMO-6-CHLORO-PURINEA1M660.71
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.71
M1A6-AMINO-1-METHYLPURINEA1B420.77
A2F2-fluoroadenineA3GOT0.77
A2F2-fluoroadenineA,B,C3GB90.77
3MA6-AMINO-3-METHYLPURINEA3MAG0.77
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.7
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
301N6-(penta-2,3-dienyl)adenineA3BW70.77
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.74
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.74
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.78
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.71
PM69H-purine-6-thiolA,B3BGD0.73
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.8
6AP9H-PURINE-2,6-DIAMINEA2B570.78
6GU6-chloroguanineA3FO40.74
6GU6-chloroguanineA3GOG0.74
6GU6-chloroguanineA3GER0.74
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.71
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.71
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.71
BP16-BROMO-7H-PURINEA,B,C1S2I0.73
2BP9H-purin-2-amineA3G4M0.74
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.76
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.8
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.72