BioLiP

PDB

BioLiP

PDB CCD ID:

4QG

Number of entries in BioLiP:

Chemical formula:

C16 H11 Cl N2 O2

InChI:

InChI=1S/C16H11ClN2O2/c17-13-7-5-10(6-8-13)14-9-19-16(21-14)12-3-1-11(2-4-12)15(18)20/h1-9H,(H2,18,20)

InChIKey:

DXIZWXGKFCRUNM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(ccc1c2ncc(o2)c3ccc(cc3)Cl)C(=O)N
CACTVS 3.385	NC(=O)c1ccc(cc1)c2oc(cn2)c3ccc(Cl)cc3
ACDLabs 12.01	c2(cnc(c1ccc(cc1)C(N)=O)o2)c3ccc(cc3)Cl

Name:

4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide

ChEMBL:

CHEMBL3752536

ZINC:

ZINC000196200873

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).