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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02790855

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.82
2612-ethoxyphenolX2RB10.72
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.72
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.74
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.74
RS2N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-
TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE
A966C0.73
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.74
F9F2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATEA,B2CLI0.71
F9F2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATEA,B2CLL0.71
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.72
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.84
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.84
2682-phenoxyethanolA2RBR0.71
HTS2-MERCAPTOPHENOLA2OSM0.71
7MR(2R)-2-AMINO-3,3,3-TRIFLUORO-N-
HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE
A,B2OW10.73
TBLN-[(4-methoxyphenyl)sulfonyl]-D-
alanine
A3EHY0.75
8MR(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACIDA,B2OW20.84
OBPA,B2DE30.71
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.77