BioLiP

PDB

BioLiP

PDB CCD ID:

EKO

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(ccc1CO[C@H](Cc2c[nH]cn2)c3ccc(cc3Cl)Cl)Cl
CACTVS 3.352	Clc1ccc(CO[CH](Cc2c[nH]cn2)c3ccc(Cl)cc3Cl)cc1
CACTVS 3.352	Clc1ccc(CO[C@H](Cc2c[nH]cn2)c3ccc(Cl)cc3Cl)cc1
OpenEye OEToolkits 1.7.0	c1cc(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, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

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).