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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00087577

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6MP6-METHYLPURINEA,B,C1OU40.81
6MP6-METHYLPURINEA,B,C1OTY0.81
6MP6-METHYLPURINEA2PUA0.81
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.86
6GU6-chloroguanineA3FO40.8
6GU6-chloroguanineA3GOG0.8
6GU6-chloroguanineA3GER0.8
6GO6-O-methylguanineA3FO60.7
6GO6-O-methylguanineA3GES0.7
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.8
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.74
BP16-BROMO-7H-PURINEA,B,C1S2I0.79
M1A6-AMINO-1-METHYLPURINEA1B420.86
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.75
2BP9H-purin-2-amineA3G4M0.79
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.74
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.78
A2F2-fluoroadenineA3GOT0.84
A2F2-fluoroadenineA,B,C3GB90.84
PM69H-purine-6-thiolA,B3BGD0.85
DX42-amino-1,9-dihydro-6H-purine-6-
thione		A,B,C,D3BMG0.71
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.7
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.7
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
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.82
BCP2-BROMO-6-CHLORO-PURINEA1M660.78
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.78
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.78
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.7
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.7
301N6-(penta-2,3-dienyl)adenineA3BW70.8
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.82
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.81
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.82
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.82
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.76
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.76
6AP9H-PURINE-2,6-DIAMINEA2B570.85
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.75
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.92