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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01016256

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.91
PM69H-purine-6-thiolA,B3BGD0.77
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.71
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.75
6GU6-chloroguanineA3FO40.8
6GU6-chloroguanineA3GOG0.8
6GU6-chloroguanineA3GER0.8
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.74
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.75
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.71
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.76
BP16-BROMO-7H-PURINEA,B,C1S2I0.79
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.74
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.85
6MP6-METHYLPURINEA,B,C1OU40.8
6MP6-METHYLPURINEA,B,C1OTY0.8
6MP6-METHYLPURINEA2PUA0.8
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.71
2BP9H-purin-2-amineA3G4M0.8
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.78
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.79
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.74
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.7
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
M1A6-AMINO-1-METHYLPURINEA1B420.85
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.82
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.72
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.83
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.96
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.73
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.76
BCP2-BROMO-6-CHLORO-PURINEA1M660.77
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.77
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.71
A2F2-fluoroadenineA3GOT0.83
A2F2-fluoroadenineA,B,C3GB90.83
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.83
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.83
301N6-(penta-2,3-dienyl)adenineA3BW70.8
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.79
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.71
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.71
6AP9H-PURINE-2,6-DIAMINEA2B570.85
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.74
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.92
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.8
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.76