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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02248317

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
BCP2-BROMO-6-CHLORO-PURINEA1M660.81
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.81
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.75
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.76
3MA6-AMINO-3-METHYLPURINEA3MAG0.86
6GO6-O-methylguanineA3FO60.7
6GO6-O-methylguanineA3GES0.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.74
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
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.78
M1A6-AMINO-1-METHYLPURINEA1B420.86
PM69H-purine-6-thiolA,B3BGD0.78
A2F2-fluoroadenineA3GOT0.84
A2F2-fluoroadenineA,B,C3GB90.84
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.87
BP16-BROMO-7H-PURINEA,B,C1S2I0.8
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.7
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.7
6MP6-METHYLPURINEA,B,C1OU40.82
6MP6-METHYLPURINEA,B,C1OTY0.82
6MP6-METHYLPURINEA2PUA0.82
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.73
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.74
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.8
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.83
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.88
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.88
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.81
6AP9H-PURINE-2,6-DIAMINEA2B570.86
6GU6-chloroguanineA3FO40.84
6GU6-chloroguanineA3GOG0.84
6GU6-chloroguanineA3GER0.84
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
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.76
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.81
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
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.84
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.71
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
DX36,7,7-trimethyl-7,8-dihydropteridine-
2,4-diamine
A,B,C,D3BMF0.71
301N6-(penta-2,3-dienyl)adenineA3BW70.82