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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03525286

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.75
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.75
OLOOLOMOUCINEA4ERK0.7
OLOOLOMOUCINEC1W0X0.7
3MA6-AMINO-3-METHYLPURINEA3MAG0.78
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.75
2BP9H-purin-2-amineA3G4M0.71
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.71
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.83
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
M1A6-AMINO-1-METHYLPURINEA1B420.78
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.73
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.86
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.73
301N6-(penta-2,3-dienyl)adenineA3BW70.72
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.7
5AD5'-DEOXYADENOSINEB1XRS0.7
5AD5'-DEOXYADENOSINEA,B,C2CC20.7
5AD5'-DEOXYADENOSINEA,B2FB30.7
5AD5'-DEOXYADENOSINEA3CI30.7
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.7
6GU6-chloroguanineA3FO40.71
6GU6-chloroguanineA3GOG0.71
6GU6-chloroguanineA3GER0.71
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.78
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
ADEADENINEA1WEI0.75
ADEADENINEA2QLU0.75
ADEADENINEA,B2H8G0.75
ADEADENINEA,B1HQC0.75
ADEADENINEA1AHA0.75
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.75
ADEADENINEA,B,D1YXM0.75
ADEADENINEA1CB00.75
ADEADENINEA,B2QTT0.75
ADEADENINEA,B,C1XE80.75
ADEADENINEA,B1M2T0.75
ADEADENINEA2P8N0.75
ADEADENINEA,B,C2PQJ0.75
ADEADENINEA,B,C1VRL0.75
ADEADENINEA,B3BSF0.75
ADEADENINEX1Y260.75
ADEADENINEA,B1ZN70.75
ADEADENINEA,B1Z5N0.75
ADEADENINEA1QB70.75
ADEADENINEA1LU10.75
ADEADENINEA,B1Q8Y0.75
ADEADENINEA2QES0.75
ADEADENINEA2PUB0.75
ADEADENINEA1Z8D0.75
ADEADENINEA1JH80.75
ADEADENINEA1QD20.75
ADEADENINEA2ICS0.75
ADEADENINEA1IFS0.75
ADEADENINEA1NLI0.75
ADEADENINEA,B1D2A0.75
ADEADENINEA1GIU0.75
ADEADENINEA1J1R0.75
ADEADENINEA2QET0.75
ADEADENINEA,B,C1OD40.75
ADEADENINEA,B1QCI0.75
ADEADENINEA,B,C,D,E,F2GA40.75
ADEADENINEA,B1JYS0.75
ADEADENINEA1LPD0.75
ADEADENINEA,B1OD20.75
ADEADENINEA1WTA0.75
ADEADENINEA,B,C1S2D0.75
ADEADENINEA1MUD0.75
ADEADENINEA2PUE0.75
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.7
A2F2-fluoroadenineA3GOT0.73
A2F2-fluoroadenineA,B,C3GB90.73
NOC3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
CYCLOPENTANE-1,2-DIOL
A1LI40.74
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.7
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.79
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.7
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.86
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.76
6MP6-METHYLPURINEA,B,C1OU40.72
6MP6-METHYLPURINEA,B,C1OTY0.72
6MP6-METHYLPURINEA2PUA0.72
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA1EXL0.75
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA,B1FYI0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.72
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.72
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine
A,B3DZ20.7
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.79
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL
A1GPJ0.7
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
A1G5S0.75
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.71
6AP9H-PURINE-2,6-DIAMINEA2B570.75
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