BioLiP

PDB

BioLiP

PDB CCD ID:

KFC

Number of entries in BioLiP:

Chemical formula:

C22 H23 N3 O

InChI:

InChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26)

InChIKey:

YSFGQDYFFHGWOC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)c(cc(n2)C(=O)NC3CCCC3)Nc4ccccc4
CACTVS 3.385	Cc1ccc2nc(cc(Nc3ccccc3)c2c1)C(=O)NC4CCCC4

Name:

~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide

ChEMBL:

CHEMBL5170778

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).