BioLiP

PDB

BioLiP

PDB CCD ID:

A1CL9

Number of entries in BioLiP:

Chemical formula:

C15 H15 N O2

InChI:

InChI=1S/C15H15NO2/c17-15(18)13-5-1-4-12(13)10-6-7-14-11(9-10)3-2-8-16-14/h2-3,6-9,12-13H,1,4-5H2,(H,17,18)/t12-,13+/m0/s1

InChIKey:

YAROMMGQINDDJN-QWHCGFSZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CCC[CH]1c2ccc3ncccc3c2
ACDLabs 14.52	O=C(O)C1CCCC1c1ccc2ncccc2c1
OpenEye OEToolkits 3.1.0.0	c1cc2cc(ccc2nc1)C3CCCC3C(=O)O
CACTVS 3.385	OC(=O)[C@@H]1CCC[C@H]1c2ccc3ncccc3c2
OpenEye OEToolkits 3.1.0.0	c1cc2cc(ccc2nc1)[C@@H]3CCC[C@H]3C(=O)O

Name:

(1R,2R)-2-(quinolin-6-yl)cyclopentane-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).