BioLiP

PDB

BioLiP

PDB CCD ID:

4ZC

Number of entries in BioLiP:

Chemical formula:

C7 H4 Cl N O

InChI:

InChI=1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H

InChIKey:

XWQDMIXVAYAZGB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(c(cc1Cl)C#N)O
CACTVS 3.385	Oc1ccc(Cl)cc1C#N
ACDLabs 12.01	Oc1c(cc(cc1)Cl)C#N

Name:

5-chloro-2-hydroxybenzonitrile

ZINC:

ZINC000000159885

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).