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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02323399

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP16-BROMO-7H-PURINEA,B,C1S2I0.87
6GO6-O-methylguanineA3FO60.7
6GO6-O-methylguanineA3GES0.7
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.71
6GU6-chloroguanineA3FO40.83
6GU6-chloroguanineA3GOG0.83
6GU6-chloroguanineA3GER0.83
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
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.7
3MA6-AMINO-3-METHYLPURINEA3MAG0.85
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.7
6MP6-METHYLPURINEA,B,C1OU40.8
6MP6-METHYLPURINEA,B,C1OTY0.8
6MP6-METHYLPURINEA2PUA0.8
2BP9H-purin-2-amineA3G4M0.8
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.7
BOA2-BROMO-6-HYDROXY-PURINEA1M670.74
ADEADENINEA1WEI0.89
ADEADENINEA2QLU0.89
ADEADENINEA,B2H8G0.89
ADEADENINEA,B1HQC0.89
ADEADENINEA1AHA0.89
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.89
ADEADENINEA,B,D1YXM0.89
ADEADENINEA1CB00.89
ADEADENINEA,B2QTT0.89
ADEADENINEA,B,C1XE80.89
ADEADENINEA,B1M2T0.89
ADEADENINEA2P8N0.89
ADEADENINEA,B,C2PQJ0.89
ADEADENINEA,B,C1VRL0.89
ADEADENINEA,B3BSF0.89
ADEADENINEX1Y260.89
ADEADENINEA,B1ZN70.89
ADEADENINEA,B1Z5N0.89
ADEADENINEA1QB70.89
ADEADENINEA1LU10.89
ADEADENINEA,B1Q8Y0.89
ADEADENINEA2QES0.89
ADEADENINEA2PUB0.89
ADEADENINEA1Z8D0.89
ADEADENINEA1JH80.89
ADEADENINEA1QD20.89
ADEADENINEA2ICS0.89
ADEADENINEA1IFS0.89
ADEADENINEA1NLI0.89
ADEADENINEA,B1D2A0.89
ADEADENINEA1GIU0.89
ADEADENINEA1J1R0.89
ADEADENINEA2QET0.89
ADEADENINEA,B,C1OD40.89
ADEADENINEA,B1QCI0.89
ADEADENINEA,B,C,D,E,F2GA40.89
ADEADENINEA,B1JYS0.89
ADEADENINEA1LPD0.89
ADEADENINEA,B1OD20.89
ADEADENINEA1WTA0.89
ADEADENINEA,B,C1S2D0.89
ADEADENINEA1MUD0.89
ADEADENINEA2PUE0.89
M1A6-AMINO-1-METHYLPURINEA1B420.85
301N6-(penta-2,3-dienyl)adenineA3BW70.76
BRG8-BROMOGUANINEA,E1LWW0.7
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.8
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.81
A2F2-fluoroadenineA3GOT0.87
A2F2-fluoroadenineA,B,C3GB90.87
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.82
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.78
BCP2-BROMO-6-CHLORO-PURINEA1M660.85
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.85
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.79
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.75
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.76
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.76
6AP9H-PURINE-2,6-DIAMINEA2B570.89
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.74
PM69H-purine-6-thiolA,B3BGD0.8
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.71