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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02249710

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.76
5AS5'-O-(N-ETHYL-SULFAMOYL)ADENOSINEA1RZY0.7
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.7
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.76
6GU6-chloroguanineA3FO40.8
6GU6-chloroguanineA3GOG0.8
6GU6-chloroguanineA3GER0.8
9MG9-METHYLGUANINEA1RRW0.71
BP16-BROMO-7H-PURINEA,B,C1S2I0.79
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.75
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.75
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.85
2BP9H-purin-2-amineA3G4M0.8
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.78
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.86
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.71
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.74
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A2ZI40.7
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI50.7
6MP6-METHYLPURINEA,B,C1OU40.82
6MP6-METHYLPURINEA,B,C1OTY0.82
6MP6-METHYLPURINEA2PUA0.82
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.7
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.83
ADEADENINEA1WEI0.85
ADEADENINEA2QLU0.85
ADEADENINEA,B2H8G0.85
ADEADENINEA,B1HQC0.85
ADEADENINEA1AHA0.85
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.85
ADEADENINEA,B,D1YXM0.85
ADEADENINEA1CB00.85
ADEADENINEA,B2QTT0.85
ADEADENINEA,B,C1XE80.85
ADEADENINEA,B1M2T0.85
ADEADENINEA2P8N0.85
ADEADENINEA,B,C2PQJ0.85
ADEADENINEA,B,C1VRL0.85
ADEADENINEA,B3BSF0.85
ADEADENINEX1Y260.85
ADEADENINEA,B1ZN70.85
ADEADENINEA,B1Z5N0.85
ADEADENINEA1QB70.85
ADEADENINEA1LU10.85
ADEADENINEA,B1Q8Y0.85
ADEADENINEA2QES0.85
ADEADENINEA2PUB0.85
ADEADENINEA1Z8D0.85
ADEADENINEA1JH80.85
ADEADENINEA1QD20.85
ADEADENINEA2ICS0.85
ADEADENINEA1IFS0.85
ADEADENINEA1NLI0.85
ADEADENINEA,B1D2A0.85
ADEADENINEA1GIU0.85
ADEADENINEA1J1R0.85
ADEADENINEA2QET0.85
ADEADENINEA,B,C1OD40.85
ADEADENINEA,B1QCI0.85
ADEADENINEA,B,C,D,E,F2GA40.85
ADEADENINEA,B1JYS0.85
ADEADENINEA1LPD0.85
ADEADENINEA,B1OD20.85
ADEADENINEA1WTA0.85
ADEADENINEA,B,C1S2D0.85
ADEADENINEA1MUD0.85
ADEADENINEA2PUE0.85
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.78
M1A6-AMINO-1-METHYLPURINEA1B420.85
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.73
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.72
5AD5'-DEOXYADENOSINEB1XRS0.72
5AD5'-DEOXYADENOSINEA,B,C2CC20.72
5AD5'-DEOXYADENOSINEA,B2FB30.72
5AD5'-DEOXYADENOSINEA3CI30.72
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.72
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.74
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.8
PM69H-purine-6-thiolA,B3BGD0.79
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.83
301N6-(penta-2,3-dienyl)adenineA3BW70.81
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.78
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.7
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.73
BCP2-BROMO-6-CHLORO-PURINEA1M660.77
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.77
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.8
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.8
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.87
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
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.77
A2F2-fluoroadenineA3GOT0.83
A2F2-fluoroadenineA,B,C3GB90.83
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.83
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.81
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.86
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C1S2G0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C2C5H0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2Z3M0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI60.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2ZI30.7
103A,B,C1CUL0.71
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.81
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.71
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.74
6AP9H-PURINE-2,6-DIAMINEA2B570.85
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.76
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.81
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.77
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.77