BioLiP

PDB

BioLiP

PDB CCD ID:

A1CME

Number of entries in BioLiP:

Chemical formula:

C15 H13 N O2

InChI:

InChI=1S/C15H13NO2/c17-15(18)13-5-1-4-12(13)11-7-6-10-3-2-8-16-14(10)9-11/h2-3,6-9H,1,4-5H2,(H,17,18)

InChIKey:

LOJVUQQULCMFRR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C1=C(CCC1)c2ccc3cccnc3c2
OpenEye OEToolkits 3.1.0.0	c1cc2ccc(cc2nc1)C3=C(CCC3)C(=O)O
ACDLabs 14.52	O=C(O)C=1CCCC=1c1cc2ncccc2cc1

Name:

(2P)-2-(quinolin-7-yl)cyclopent-1-ene-1-carboxylic 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).