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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02305653

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2NP60.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C2IH50.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH20.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBS0.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F1G380.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C2NP70.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH40.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBT0.7
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.74
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B1Z5O0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3B7P0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6M0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA3FUW0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3FUX0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C2HTE0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C1JDT0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1CG60.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O060.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA2IPX0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D2E5W0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2YY80.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D,E,F,
G,H,I,J,K,L		2A8Y0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1EG20.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6K0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O070.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O050.73
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.74
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.73
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.79
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine		A,B3H0V0.72
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.73
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.73
S4AA,B2RMQ0.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.78
6GU6-chloroguanineA3FO40.71
6GU6-chloroguanineA3GOG0.71
6GU6-chloroguanineA3GER0.71
301N6-(penta-2,3-dienyl)adenineA3BW70.73
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.77
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.77
A2F2-fluoroadenineA3GOT0.74
A2F2-fluoroadenineA,B,C3GB90.74
ADEADENINEA1WEI0.75
ADEADENINEA2QLU0.75
ADEADENINEA,B2H8G0.75
ADEADENINEA,B1HQC0.75
ADEADENINEA1AHA0.75
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.75
ADEADENINEA,B,D1YXM0.75
ADEADENINEA1CB00.75
ADEADENINEA,B2QTT0.75
ADEADENINEA,B,C1XE80.75
ADEADENINEA,B1M2T0.75
ADEADENINEA2P8N0.75
ADEADENINEA,B,C2PQJ0.75
ADEADENINEA,B,C1VRL0.75
ADEADENINEA,B3BSF0.75
ADEADENINEX1Y260.75
ADEADENINEA,B1ZN70.75
ADEADENINEA,B1Z5N0.75
ADEADENINEA1QB70.75
ADEADENINEA1LU10.75
ADEADENINEA,B1Q8Y0.75
ADEADENINEA2QES0.75
ADEADENINEA2PUB0.75
ADEADENINEA1Z8D0.75
ADEADENINEA1JH80.75
ADEADENINEA1QD20.75
ADEADENINEA2ICS0.75
ADEADENINEA1IFS0.75
ADEADENINEA1NLI0.75
ADEADENINEA,B1D2A0.75
ADEADENINEA1GIU0.75
ADEADENINEA1J1R0.75
ADEADENINEA2QET0.75
ADEADENINEA,B,C1OD40.75
ADEADENINEA,B1QCI0.75
ADEADENINEA,B,C,D,E,F2GA40.75
ADEADENINEA,B1JYS0.75
ADEADENINEA1LPD0.75
ADEADENINEA,B1OD20.75
ADEADENINEA1WTA0.75
ADEADENINEA,B,C1S2D0.75
ADEADENINEA1MUD0.75
ADEADENINEA2PUE0.75
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.75
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.71
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.77
M1A6-AMINO-1-METHYLPURINEA1B420.79
BP16-BROMO-7H-PURINEA,B,C1S2I0.7
3DH5'-S-ethyl-5'-thioadenosineA,B,C,D3DHY0.72
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.75
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.76
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.76
2BP9H-purin-2-amineA3G4M0.72
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.72
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL		A,B,C1PR40.75
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL		A2AB80.75
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL		A2AA00.75
6MP6-METHYLPURINEA,B,C1OU40.72
6MP6-METHYLPURINEA,B,C1OTY0.72
6MP6-METHYLPURINEA2PUA0.72
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.74
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.74
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.82
3MA6-AMINO-3-METHYLPURINEA3MAG0.79
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
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.73
PM69H-purine-6-thiolA,B3BGD0.82
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.83
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.73
AAD(2-AMINOOXY-ETHYL)-[5-(6-AMINO-
PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-
FURAN-2-YLMETHYL]-METHYL-SULFONIUM		A1M4N0.71
MSG7-METHYL-6-THIO-GUANOSINEE1YRY0.72
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A2O0L0.71
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT60.71
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT90.71
6AP9H-PURINE-2,6-DIAMINEA2B570.75