BioLiP

PDB

BioLiP

PDB CCD ID:

A1AXX

Number of entries in BioLiP:

Chemical formula:

C8 H5 Cl N2 O

InChI:

InChI=1S/C8H5ClN2O/c9-8-2-1-6(3-11-8)7-4-10-5-12-7/h1-5H

InChIKey:

VLCZGHUOVFKECA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(cn1)c2ocnc2
ACDLabs 12.01	Clc1ncc(cc1)c1cnco1
OpenEye OEToolkits 2.0.7	c1cc(ncc1c2cnco2)Cl

Name:

(5P)-2-chloro-5-(1,3-oxazol-5-yl)pyridine

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).