BioLiP

PDB

BioLiP

PDB CCD ID:

8R7

Number of entries in BioLiP:

Chemical formula:

C22 H21 N O3

InChI:

InChI=1S/C22H21NO3/c1-26-16-7-9-18-17(10-11-23-21(18)13-16)15-6-8-19(22(24)25)20(12-15)14-4-2-3-5-14/h6-14H,2-5H2,1H3,(H,24,25)

InChIKey:

ISWSKRZAOHBEDP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2cc(c(C1CCCC1)cc2c3ccnc4cc(OC)ccc34)C(O)=O
CACTVS 3.385	COc1ccc2c(c1)nccc2c3ccc(C(O)=O)c(c3)C4CCCC4
OpenEye OEToolkits 2.0.6	COc1ccc2c(ccnc2c1)c3ccc(c(c3)C4CCCC4)C(=O)O

Name:

2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid

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).