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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02314987

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
301N6-(penta-2,3-dienyl)adenineA3BW70.7
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
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.75
ADEADENINEA1WEI0.72
ADEADENINEA2QLU0.72
ADEADENINEA,B2H8G0.72
ADEADENINEA,B1HQC0.72
ADEADENINEA1AHA0.72
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.72
ADEADENINEA,B,D1YXM0.72
ADEADENINEA1CB00.72
ADEADENINEA,B2QTT0.72
ADEADENINEA,B,C1XE80.72
ADEADENINEA,B1M2T0.72
ADEADENINEA2P8N0.72
ADEADENINEA,B,C2PQJ0.72
ADEADENINEA,B,C1VRL0.72
ADEADENINEA,B3BSF0.72
ADEADENINEX1Y260.72
ADEADENINEA,B1ZN70.72
ADEADENINEA,B1Z5N0.72
ADEADENINEA1QB70.72
ADEADENINEA1LU10.72
ADEADENINEA,B1Q8Y0.72
ADEADENINEA2QES0.72
ADEADENINEA2PUB0.72
ADEADENINEA1Z8D0.72
ADEADENINEA1JH80.72
ADEADENINEA1QD20.72
ADEADENINEA2ICS0.72
ADEADENINEA1IFS0.72
ADEADENINEA1NLI0.72
ADEADENINEA,B1D2A0.72
ADEADENINEA1GIU0.72
ADEADENINEA1J1R0.72
ADEADENINEA2QET0.72
ADEADENINEA,B,C1OD40.72
ADEADENINEA,B1QCI0.72
ADEADENINEA,B,C,D,E,F2GA40.72
ADEADENINEA,B1JYS0.72
ADEADENINEA1LPD0.72
ADEADENINEA,B1OD20.72
ADEADENINEA1WTA0.72
ADEADENINEA,B,C1S2D0.72
ADEADENINEA1MUD0.72
ADEADENINEA2PUE0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.74
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.75
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.71
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine
A,B3H0V0.72
S4AA,B2RMQ0.72
PM69H-purine-6-thiolA,B3BGD0.78
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A2O0L0.72
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT60.72
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT90.72
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
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.74
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.74
AAD(2-AMINOOXY-ETHYL)-[5-(6-AMINO-
PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-
FURAN-2-YLMETHYL]-METHYL-SULFONIUM
A1M4N0.72
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.7
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.7
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.7
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2NP60.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C2IH50.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH20.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBS0.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F1G380.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C2NP70.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH40.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBT0.71
6AP9H-PURINE-2,6-DIAMINEA2B570.72
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.79
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.78
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.76
M1A6-AMINO-1-METHYLPURINEA1B420.76
A2F2-fluoroadenineA3GOT0.71
A2F2-fluoroadenineA,B,C3GB90.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B1Z5O0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3B7P0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6M0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA3FUW0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3FUX0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C2HTE0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C1JDT0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1CG60.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O060.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA2IPX0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D2E5W0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2YY80.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D,E,F,
G,H,I,J,K,L
2A8Y0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1EG20.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6K0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O070.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O050.71
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
3DH5'-S-ethyl-5'-thioadenosineA,B,C,D3DHY0.73
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.79
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.71
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.7
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.71