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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019175

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.72
TCLTRICLOSANA,B,C,D2PD30.81
TCLTRICLOSANA,B1P450.81
TCLTRICLOSANA,B,C,D,E,F2B350.81
TCLTRICLOSANA,B1D8A0.81
TCLTRICLOSANA,B1C140.81
TCLTRICLOSANA,B,C,D2QIO0.81
TCLTRICLOSANA,B1NHG0.81
TCLTRICLOSANA1D7O0.81
TCLTRICLOSANA,B,C,D2O2Y0.81
TCLTRICLOSANA,B1UH50.81
TCLTRICLOSANA,B2O2S0.81
TCLTRICLOSANA,B,C,D1QG60.81
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.81
DCNDICLOSANA,B,C,D2PD40.85
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.71
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.71
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.71
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.73
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.78
2CH2-CHLOROPHENOLA1WBO0.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.72
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.72
2682-phenoxyethanolA2RBR0.87
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.73
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.7
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.78
258(2-chloroethoxy)benzeneX2RAY0.8
2612-ethoxyphenolX2RB10.81
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.7
3CH3-CHLOROPHENOLA1LI30.74
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.7
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.78
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXR0.74
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXS0.74
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B,C,D1O5W0.74
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.83
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.72
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.71
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.71
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.8