BioLiP

PDB

BioLiP

PDB CCD ID:

FJ2

Number of entries in BioLiP:

Chemical formula:

C18 H15 Cl N2 O5

InChI:

InChI=1S/C18H15ClN2O5/c1-9(22)20-18-16(10-3-5-11(25-2)6-4-10)17(21-26-18)12-7-13(19)15(24)8-14(12)23/h3-8,23-24H,1-2H3,(H,20,22)

InChIKey:

ZPXWZHXHEMSPJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC
CACTVS 3.385	COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc(Cl)c(O)cc3O
ACDLabs 12.01	Clc3c(O)cc(O)c(c1noc(c1c2ccc(OC)cc2)NC(=O)C)c3

Name:

N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide

ChEMBL:

CHEMBL3342581

ZINC:

ZINC000098208888

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).