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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02336217

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,P1T030.71
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.81
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.75
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.74
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.75
M1A6-AMINO-1-METHYLPURINEA1B420.77
A2F2-fluoroadenineA3GOT0.72
A2F2-fluoroadenineA,B,C3GB90.72
3MA6-AMINO-3-METHYLPURINEA3MAG0.77
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.78
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.72
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B1Z5O0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3B7P0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6M0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA3FUW0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3FUX0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C2HTE0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C1JDT0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1CG60.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O060.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA2IPX0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D2E5W0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2YY80.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D,E,F,
G,H,I,J,K,L		2A8Y0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1EG20.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6K0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O070.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O050.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.72
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
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
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.7
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.76
ADEADENINEA1WEI0.73
ADEADENINEA2QLU0.73
ADEADENINEA,B2H8G0.73
ADEADENINEA,B1HQC0.73
ADEADENINEA1AHA0.73
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.73
ADEADENINEA,B,D1YXM0.73
ADEADENINEA1CB00.73
ADEADENINEA,B2QTT0.73
ADEADENINEA,B,C1XE80.73
ADEADENINEA,B1M2T0.73
ADEADENINEA2P8N0.73
ADEADENINEA,B,C2PQJ0.73
ADEADENINEA,B,C1VRL0.73
ADEADENINEA,B3BSF0.73
ADEADENINEX1Y260.73
ADEADENINEA,B1ZN70.73
ADEADENINEA,B1Z5N0.73
ADEADENINEA1QB70.73
ADEADENINEA1LU10.73
ADEADENINEA,B1Q8Y0.73
ADEADENINEA2QES0.73
ADEADENINEA2PUB0.73
ADEADENINEA1Z8D0.73
ADEADENINEA1JH80.73
ADEADENINEA1QD20.73
ADEADENINEA2ICS0.73
ADEADENINEA1IFS0.73
ADEADENINEA1NLI0.73
ADEADENINEA,B1D2A0.73
ADEADENINEA1GIU0.73
ADEADENINEA1J1R0.73
ADEADENINEA2QET0.73
ADEADENINEA,B,C1OD40.73
ADEADENINEA,B1QCI0.73
ADEADENINEA,B,C,D,E,F2GA40.73
ADEADENINEA,B1JYS0.73
ADEADENINEA1LPD0.73
ADEADENINEA,B1OD20.73
ADEADENINEA1WTA0.73
ADEADENINEA,B,C1S2D0.73
ADEADENINEA1MUD0.73
ADEADENINEA2PUE0.73
301N6-(penta-2,3-dienyl)adenineA3BW70.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.75
PM69H-purine-6-thiolA,B3BGD0.79
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.7
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.73
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL		A,B,C1PR40.72
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL		A2AB80.72
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL		A2AA00.72
6AP9H-PURINE-2,6-DIAMINEA2B570.73
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.71