BioLiP

PDB

BioLiP

PDB CCD ID:

9LK

Number of entries in BioLiP:

Chemical formula:

C17 H14 Cl N3 O3

InChI:

InChI=1S/C17H14ClN3O3/c1-10-16(23-11(2)20-10)17(22)21-13-5-8-15(19-9-13)24-14-6-3-12(18)4-7-14/h3-9H,1-2H3,(H,21,22)

InChIKey:

NKGOFWDSBBVHLO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1oc(c(C)n1)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2
OpenEye OEToolkits 2.0.6	Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl

Name:

~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

ChEMBL:

CHEMBL4282392

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).