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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02291366

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2BP9H-purin-2-amineA3G4M0.81
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.79
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.71
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.75
3MA6-AMINO-3-METHYLPURINEA3MAG0.86
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.74
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.71
ADEADENINEA1WEI0.86
ADEADENINEA2QLU0.86
ADEADENINEA,B2H8G0.86
ADEADENINEA,B1HQC0.86
ADEADENINEA1AHA0.86
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.86
ADEADENINEA,B,D1YXM0.86
ADEADENINEA1CB00.86
ADEADENINEA,B2QTT0.86
ADEADENINEA,B,C1XE80.86
ADEADENINEA,B1M2T0.86
ADEADENINEA2P8N0.86
ADEADENINEA,B,C2PQJ0.86
ADEADENINEA,B,C1VRL0.86
ADEADENINEA,B3BSF0.86
ADEADENINEX1Y260.86
ADEADENINEA,B1ZN70.86
ADEADENINEA,B1Z5N0.86
ADEADENINEA1QB70.86
ADEADENINEA1LU10.86
ADEADENINEA,B1Q8Y0.86
ADEADENINEA2QES0.86
ADEADENINEA2PUB0.86
ADEADENINEA1Z8D0.86
ADEADENINEA1JH80.86
ADEADENINEA1QD20.86
ADEADENINEA2ICS0.86
ADEADENINEA1IFS0.86
ADEADENINEA1NLI0.86
ADEADENINEA,B1D2A0.86
ADEADENINEA1GIU0.86
ADEADENINEA1J1R0.86
ADEADENINEA2QET0.86
ADEADENINEA,B,C1OD40.86
ADEADENINEA,B1QCI0.86
ADEADENINEA,B,C,D,E,F2GA40.86
ADEADENINEA,B1JYS0.86
ADEADENINEA1LPD0.86
ADEADENINEA,B1OD20.86
ADEADENINEA1WTA0.86
ADEADENINEA,B,C1S2D0.86
ADEADENINEA1MUD0.86
ADEADENINEA2PUE0.86
M1A6-AMINO-1-METHYLPURINEA1B420.86
PM69H-purine-6-thiolA,B3BGD0.84
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.78
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.74
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.72
A2F2-fluoroadenineA3GOT0.84
A2F2-fluoroadenineA,B,C3GB90.84
6GU6-chloroguanineA3FO40.81
6GU6-chloroguanineA3GOG0.81
6GU6-chloroguanineA3GER0.81
BP16-BROMO-7H-PURINEA,B,C1S2I0.8
6MP6-METHYLPURINEA,B,C1OU40.82
6MP6-METHYLPURINEA,B,C1OTY0.82
6MP6-METHYLPURINEA2PUA0.82
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.76
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A2O0L0.7
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT60.7
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT90.7
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.79
6GO6-O-methylguanineA3FO60.71
6GO6-O-methylguanineA3GES0.71
BCP2-BROMO-6-CHLORO-PURINEA1M660.78
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.78
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.8
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.83
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.86
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
A2Z7G0.71
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.81
6AP9H-PURINE-2,6-DIAMINEA2B570.86
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.87
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.87
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.76
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.85
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.86
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.79
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.71
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.71
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
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.76
301N6-(penta-2,3-dienyl)adenineA3BW70.82