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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02388341

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PM69H-purine-6-thiolA,B3BGD0.72
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.74
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.76
BCP2-BROMO-6-CHLORO-PURINEA1M660.71
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.71
6AP9H-PURINE-2,6-DIAMINEA2B570.79
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.72
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.74
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.74
A2F2-fluoroadenineA3GOT0.77
A2F2-fluoroadenineA,B,C3GB90.77
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.75
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.84
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.72
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.77
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.7
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.7
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.85
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.72
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.75
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.75
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.79
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.79
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.8
301N6-(penta-2,3-dienyl)adenineA3BW70.76
3MA6-AMINO-3-METHYLPURINEA3MAG0.81
ADEADENINEA1WEI0.79
ADEADENINEA2QLU0.79
ADEADENINEA,B2H8G0.79
ADEADENINEA,B1HQC0.79
ADEADENINEA1AHA0.79
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.79
ADEADENINEA,B,D1YXM0.79
ADEADENINEA1CB00.79
ADEADENINEA,B2QTT0.79
ADEADENINEA,B,C1XE80.79
ADEADENINEA,B1M2T0.79
ADEADENINEA2P8N0.79
ADEADENINEA,B,C2PQJ0.79
ADEADENINEA,B,C1VRL0.79
ADEADENINEA,B3BSF0.79
ADEADENINEX1Y260.79
ADEADENINEA,B1ZN70.79
ADEADENINEA,B1Z5N0.79
ADEADENINEA1QB70.79
ADEADENINEA1LU10.79
ADEADENINEA,B1Q8Y0.79
ADEADENINEA2QES0.79
ADEADENINEA2PUB0.79
ADEADENINEA1Z8D0.79
ADEADENINEA1JH80.79
ADEADENINEA1QD20.79
ADEADENINEA2ICS0.79
ADEADENINEA1IFS0.79
ADEADENINEA1NLI0.79
ADEADENINEA,B1D2A0.79
ADEADENINEA1GIU0.79
ADEADENINEA1J1R0.79
ADEADENINEA2QET0.79
ADEADENINEA,B,C1OD40.79
ADEADENINEA,B1QCI0.79
ADEADENINEA,B,C,D,E,F2GA40.79
ADEADENINEA,B1JYS0.79
ADEADENINEA1LPD0.79
ADEADENINEA,B1OD20.79
ADEADENINEA1WTA0.79
ADEADENINEA,B,C1S2D0.79
ADEADENINEA1MUD0.79
ADEADENINEA2PUE0.79
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.8
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.76
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
M1A6-AMINO-1-METHYLPURINEA1B420.81
6GU6-chloroguanineA3FO40.74
6GU6-chloroguanineA3GOG0.74
6GU6-chloroguanineA3GER0.74
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.79
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.79
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.78
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.75
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.73
BP16-BROMO-7H-PURINEA,B,C1S2I0.73
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.79
2BP9H-purin-2-amineA3G4M0.74
6MP6-METHYLPURINEA,B,C1OU40.74
6MP6-METHYLPURINEA,B,C1OTY0.74
6MP6-METHYLPURINEA2PUA0.74