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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02396081

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.77
6GU6-chloroguanineA3FO40.8
6GU6-chloroguanineA3GOG0.8
6GU6-chloroguanineA3GER0.8
BOA2-BROMO-6-HYDROXY-PURINEA1M670.7
BP16-BROMO-7H-PURINEA,B,C1S2I0.81
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.73
BCP2-BROMO-6-CHLORO-PURINEA1M660.79
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.79
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.76
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.77
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.78
301N6-(penta-2,3-dienyl)adenineA3BW70.75
A2F2-fluoroadenineA3GOT0.84
A2F2-fluoroadenineA,B,C3GB90.84
PM69H-purine-6-thiolA,B3BGD0.92
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.71
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.83
ADEADENINEA1WEI0.85
ADEADENINEA2QLU0.85
ADEADENINEA,B2H8G0.85
ADEADENINEA,B1HQC0.85
ADEADENINEA1AHA0.85
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.85
ADEADENINEA,B,D1YXM0.85
ADEADENINEA1CB00.85
ADEADENINEA,B2QTT0.85
ADEADENINEA,B,C1XE80.85
ADEADENINEA,B1M2T0.85
ADEADENINEA2P8N0.85
ADEADENINEA,B,C2PQJ0.85
ADEADENINEA,B,C1VRL0.85
ADEADENINEA,B3BSF0.85
ADEADENINEX1Y260.85
ADEADENINEA,B1ZN70.85
ADEADENINEA,B1Z5N0.85
ADEADENINEA1QB70.85
ADEADENINEA1LU10.85
ADEADENINEA,B1Q8Y0.85
ADEADENINEA2QES0.85
ADEADENINEA2PUB0.85
ADEADENINEA1Z8D0.85
ADEADENINEA1JH80.85
ADEADENINEA1QD20.85
ADEADENINEA2ICS0.85
ADEADENINEA1IFS0.85
ADEADENINEA1NLI0.85
ADEADENINEA,B1D2A0.85
ADEADENINEA1GIU0.85
ADEADENINEA1J1R0.85
ADEADENINEA2QET0.85
ADEADENINEA,B,C1OD40.85
ADEADENINEA,B1QCI0.85
ADEADENINEA,B,C,D,E,F2GA40.85
ADEADENINEA,B1JYS0.85
ADEADENINEA1LPD0.85
ADEADENINEA,B1OD20.85
ADEADENINEA1WTA0.85
ADEADENINEA,B,C1S2D0.85
ADEADENINEA1MUD0.85
ADEADENINEA2PUE0.85
6MP6-METHYLPURINEA,B,C1OU40.78
6MP6-METHYLPURINEA,B,C1OTY0.78
6MP6-METHYLPURINEA2PUA0.78
2BP9H-purin-2-amineA3G4M0.78
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.8
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.76
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.76
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.73
M1A6-AMINO-1-METHYLPURINEA1B420.82
3MA6-AMINO-3-METHYLPURINEA3MAG0.82
6AP9H-PURINE-2,6-DIAMINEA2B570.85