BioLiP

PDB

BioLiP

PDB CCD ID:

A1L6X

Number of entries in BioLiP:

Chemical formula:

C18 H14 Cl4 N2 O

InChI:

InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m1/s1

InChIKey:

BYBLEWFAAKGYCD-GOSISDBHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(CO[C@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1
CACTVS 3.385	Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Cl)Cl)CO[C@H](Cn2ccnc2)c3ccc(cc3Cl)Cl

Name:

1-[(2S)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;
miconazole

ChEMBL:

CHEMBL173038

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).