BioLiP

PDB

BioLiP

PDB CCD ID:

6C3

Number of entries in BioLiP:

Chemical formula:

C19 H13 Cl N2 O2

InChI:

InChI=1S/C19H13ClN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23)

InChIKey:

QINNOQKHPLWGBK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cc(on1)C2=C(c3cc(ccc3NC2=O)Cl)c4ccccc4
ACDLabs 10.04	Clc1cc2C(=C(C(=O)Nc2cc1)c3onc(c3)C)c4ccccc4
CACTVS 3.341	Cc1cc(on1)C2=C(c3ccccc3)c4cc(Cl)ccc4NC2=O

Name:

6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE

ChEMBL:

CHEMBL257705

DrugBank:

DB07202

ZINC:

ZINC000020149013

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).