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BioLiP Library

PDB CCD ID: EKO
Number of entries in BioLiP: 1
Chemical formula: C18 H15 Cl3 N2 O
InChI: InChI=1S/C18H15Cl3N2O/c19-13-3-1-12(2-4-13)10-24-18(8-15-9-22-11-23-15)16-6-5-14(20)7-17(16)21/h1-7,9,11,18H,8,10H2,(H,22,23)/t18-/m1/s1
InChIKey: YYOREPIIQIKCGZ-GOSISDBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1CO[C@H](Cc2c[nH]cn2)c3ccc(cc3Cl)Cl)Cl
CACTVS 3.352Clc1ccc(CO[CH](Cc2c[nH]cn2)c3ccc(Cl)cc3Cl)cc1
CACTVS 3.352Clc1ccc(CO[C@H](Cc2c[nH]cn2)c3ccc(Cl)cc3Cl)cc1
OpenEye OEToolkits 1.7.0c1cc(ccc1COC(Cc2c[nH]cn2)c3ccc(cc3Cl)Cl)Cl
Name:4-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
ZINC: ZINC000002012728
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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