BioLiP

PDB

BioLiP

PDB CCD ID:

A1I1V

Number of entries in BioLiP:

Chemical formula:

C15 H11 Cl N2 O

InChI:

InChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)14(19)13(15(17)18-12)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19)

InChIKey:

BQEKTAOKRNWDNE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=C(C(=O)c2cc(Cl)ccc2N1)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2=C(Nc3ccc(cc3C2=O)Cl)N

Name:

2-amino-6-chloro-3-phenyl-1H-quinolin-4-one;
2-azanyl-6-chloranyl-3-phenyl-1H-quinolin-4-one

ChEMBL:

CHEMBL2019152

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).