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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02379533

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.73
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
BP16-BROMO-7H-PURINEA,B,C1S2I0.76
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.77
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.73
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.71
A2F2-fluoroadenineA3GOT0.7
A2F2-fluoroadenineA,B,C3GB90.7
6AP9H-PURINE-2,6-DIAMINEA2B570.71
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine		A,B3H0V0.72
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
S4AA,B2RMQ0.75
3MA6-AMINO-3-METHYLPURINEA3MAG0.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2NP60.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C2IH50.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH20.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBS0.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F1G380.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C2NP70.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH40.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBT0.73
AAD(2-AMINOOXY-ETHYL)-[5-(6-AMINO-
PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-
FURAN-2-YLMETHYL]-METHYL-SULFONIUM		A1M4N0.72
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.7
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.7
M1A6-AMINO-1-METHYLPURINEA1B420.73
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.72
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.7
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.73
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.71
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.71
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.71
ADEADENINEA1WEI0.71
ADEADENINEA2QLU0.71
ADEADENINEA,B2H8G0.71
ADEADENINEA,B1HQC0.71
ADEADENINEA1AHA0.71
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.71
ADEADENINEA,B,D1YXM0.71
ADEADENINEA1CB00.71
ADEADENINEA,B2QTT0.71
ADEADENINEA,B,C1XE80.71
ADEADENINEA,B1M2T0.71
ADEADENINEA2P8N0.71
ADEADENINEA,B,C2PQJ0.71
ADEADENINEA,B,C1VRL0.71
ADEADENINEA,B3BSF0.71
ADEADENINEX1Y260.71
ADEADENINEA,B1ZN70.71
ADEADENINEA,B1Z5N0.71
ADEADENINEA1QB70.71
ADEADENINEA1LU10.71
ADEADENINEA,B1Q8Y0.71
ADEADENINEA2QES0.71
ADEADENINEA2PUB0.71
ADEADENINEA1Z8D0.71
ADEADENINEA1JH80.71
ADEADENINEA1QD20.71
ADEADENINEA2ICS0.71
ADEADENINEA1IFS0.71
ADEADENINEA1NLI0.71
ADEADENINEA,B1D2A0.71
ADEADENINEA1GIU0.71
ADEADENINEA1J1R0.71
ADEADENINEA2QET0.71
ADEADENINEA,B,C1OD40.71
ADEADENINEA,B1QCI0.71
ADEADENINEA,B,C,D,E,F2GA40.71
ADEADENINEA,B1JYS0.71
ADEADENINEA1LPD0.71
ADEADENINEA,B1OD20.71
ADEADENINEA1WTA0.71
ADEADENINEA,B,C1S2D0.71
ADEADENINEA1MUD0.71
ADEADENINEA2PUE0.71
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.76
3DH5'-S-ethyl-5'-thioadenosineA,B,C,D3DHY0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.71
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.71
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.74