BioLiP

PDB

BioLiP

PDB CCD ID:

2ZW

Number of entries in BioLiP:

Chemical formula:

C20 H19 Cl N2 O2

InChI:

InChI=1S/C20H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)22-20(24)18-13(3)25-23-19(18)16-6-4-5-7-17(16)21/h4-12H,1-3H3,(H,22,24)

InChIKey:

WRQYTVUHKWFTAU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C
CACTVS 3.385	CC(C)c1ccc(NC(=O)c2c(C)onc2c3ccccc3Cl)cc1
ACDLabs 12.01	Clc1ccccc1c2noc(c2C(=O)Nc3ccc(cc3)C(C)C)C

Name:

3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide

ZINC:

ZINC000001045123

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).