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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02325479

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6MP6-METHYLPURINEA,B,C1OU40.88
6MP6-METHYLPURINEA,B,C1OTY0.88
6MP6-METHYLPURINEA2PUA0.88
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.71
6AP9H-PURINE-2,6-DIAMINEA2B570.81
6GU6-chloroguanineA3FO40.76
6GU6-chloroguanineA3GOG0.76
6GU6-chloroguanineA3GER0.76
PM69H-purine-6-thiolA,B3BGD0.74
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.72
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.72
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.74
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.75
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.75
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE
A,B,C1PR20.7
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE
A,B,C1OVG0.7
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.77
301N6-(penta-2,3-dienyl)adenineA3BW70.76
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.83
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.83
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.75
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.72
ADEADENINEA1WEI0.81
ADEADENINEA2QLU0.81
ADEADENINEA,B2H8G0.81
ADEADENINEA,B1HQC0.81
ADEADENINEA1AHA0.81
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.81
ADEADENINEA,B,D1YXM0.81
ADEADENINEA1CB00.81
ADEADENINEA,B2QTT0.81
ADEADENINEA,B,C1XE80.81
ADEADENINEA,B1M2T0.81
ADEADENINEA2P8N0.81
ADEADENINEA,B,C2PQJ0.81
ADEADENINEA,B,C1VRL0.81
ADEADENINEA,B3BSF0.81
ADEADENINEX1Y260.81
ADEADENINEA,B1ZN70.81
ADEADENINEA,B1Z5N0.81
ADEADENINEA1QB70.81
ADEADENINEA1LU10.81
ADEADENINEA,B1Q8Y0.81
ADEADENINEA2QES0.81
ADEADENINEA2PUB0.81
ADEADENINEA1Z8D0.81
ADEADENINEA1JH80.81
ADEADENINEA1QD20.81
ADEADENINEA2ICS0.81
ADEADENINEA1IFS0.81
ADEADENINEA1NLI0.81
ADEADENINEA,B1D2A0.81
ADEADENINEA1GIU0.81
ADEADENINEA1J1R0.81
ADEADENINEA2QET0.81
ADEADENINEA,B,C1OD40.81
ADEADENINEA,B1QCI0.81
ADEADENINEA,B,C,D,E,F2GA40.81
ADEADENINEA,B1JYS0.81
ADEADENINEA1LPD0.81
ADEADENINEA,B1OD20.81
ADEADENINEA1WTA0.81
ADEADENINEA,B,C1S2D0.81
ADEADENINEA1MUD0.81
ADEADENINEA2PUE0.81
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.88
A2F2-fluoroadenineA3GOT0.83
A2F2-fluoroadenineA,B,C3GB90.83
BP16-BROMO-7H-PURINEA,B,C1S2I0.75
M1A6-AMINO-1-METHYLPURINEA1B420.83
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.76
BCP2-BROMO-6-CHLORO-PURINEA1M660.73
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.73
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.76
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.88
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.76
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.71
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.71
2BP9H-purin-2-amineA3G4M0.74
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.72
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.72
9MG9-METHYLGUANINEA1RRW0.73
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.76
3MA6-AMINO-3-METHYLPURINEA3MAG0.83