BioLiP

PDB

BioLiP

PDB CCD ID:

QRB

Number of entries in BioLiP:

Chemical formula:

C18 H19 N3 O3

InChI:

InChI=1S/C18H19N3O3/c19-17(22)15-7-8-16-14(10-15)2-1-9-21(16)11-12-3-5-13(6-4-12)18(23)20-24/h3-8,10,24H,1-2,9,11H2,(H2,19,22)(H,20,23)

InChIKey:

ZRFMDXMQBRKKOA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)c1ccc2N(CCCc2c1)Cc3ccc(cc3)C(=O)NO
OpenEye OEToolkits 2.0.7	c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO

Name:

1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide

ChEMBL:

CHEMBL4846435

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).