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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03084865

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B325'-S-[2-(decylamino)ethyl]-5'-thioadenosineA3HA70.7
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
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A2O0L0.73
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT60.73
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT90.73
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.74
AAD(2-AMINOOXY-ETHYL)-[5-(6-AMINO-
PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-
FURAN-2-YLMETHYL]-METHYL-SULFONIUM
A1M4N0.73
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.74
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2NP60.72
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C2IH50.72
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH20.72
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBS0.72
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F1G380.72
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C2NP70.72
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH40.72
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBT0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.72
MSG7-METHYL-6-THIO-GUANOSINEE1YRY0.71
S4AA,B2RMQ0.73
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE
A,B1A7A0.7
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine
A,B3H0V0.73
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,C,D1JQ30.73
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,B,C2I7C0.73
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B2HH90.74
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1SBR0.74
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1IG00.74
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1IG30.74
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.7
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.71
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A,B,C1PR40.73
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A2AB80.73
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A2AA00.73
3DH5'-S-ethyl-5'-thioadenosineA,B,C,D3DHY0.74