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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02295530

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.74
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A2O0L0.74
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT60.74
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT90.74
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.76
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B1Z5O0.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3B7P0.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6M0.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA3FUW0.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3FUX0.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C2HTE0.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C1JDT0.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1CG60.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O060.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA2IPX0.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D2E5W0.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2YY80.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D,E,F,
G,H,I,J,K,L
2A8Y0.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1EG20.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6K0.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O070.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O050.75
AAD(2-AMINOOXY-ETHYL)-[5-(6-AMINO-
PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-
FURAN-2-YLMETHYL]-METHYL-SULFONIUM
A1M4N0.74
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.7
S4AA,B2RMQ0.77
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.73
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.78
PM69H-purine-6-thiolA,B3BGD0.74
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
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.78
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.72
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.72
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine
A,B3H0V0.74
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2NP60.74
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C2IH50.74
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH20.74
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBS0.74
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F1G380.74
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C2NP70.74
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH40.74
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBT0.74
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.73
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.72
B325'-S-[2-(decylamino)ethyl]-5'-thioadenosineA3HA70.71
MSG7-METHYL-6-THIO-GUANOSINEE1YRY0.73
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.7
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.73
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.72
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A,B,C1PR40.78
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A2AB80.78
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A2AA00.78
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.71
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.71
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
3DH5'-S-ethyl-5'-thioadenosineA,B,C,D3DHY0.75