BioLiP

PDB

BioLiP

PDB CCD ID:

0YD

Number of entries in BioLiP:

Chemical formula:

C18 H14 Cl N O3

InChI:

InChI=1S/C18H14ClNO3/c19-15-3-1-2-14(10-15)12-4-6-13(7-5-12)17-11-16(23-20-17)8-9-18(21)22/h1-7,10-11H,8-9H2,(H,21,22)

InChIKey:

URCXEYDVUSIQLH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3
OpenEye OEToolkits 1.7.6	c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O
ACDLabs 12.01	Clc3cccc(c2ccc(c1noc(c1)CCC(=O)O)cc2)c3

Name:

3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid

ZINC:

ZINC000098207893

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).