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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02335005

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BFLA,B1Q4G0.71
RSOR-STYRENE OXIDEA,B1PWZ0.73
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.77
SS11-PHENYLETHANOLH1UM50.74
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.72
BDBA,B1KE30.7
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.74
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.74
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
OBZO-benzylhydroxylamineA,B3DTH0.7
OBZO-benzylhydroxylamineA,B3DTG0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.71
PEL2-PHENYL-ETHANOLA,B1I0D0.75
PEL2-PHENYL-ETHANOLD,H2I0T0.75
PEL2-PHENYL-ETHANOLA,B1HZY0.75
PEL2-PHENYL-ETHANOLA,B1I0B0.75
PEL2-PHENYL-ETHANOLA1EYW0.75
PEL2-PHENYL-ETHANOLA,B1JGM0.75
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZK00.74
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.74
SS2(1R)-1-PHENYLETHANOLA1ZJY0.74
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.71
B69A2ZCR0.72
BPSA,B2DE40.7