BioLiP

PDB

BioLiP

PDB CCD ID:

A1CLU

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O3

InChI:

InChI=1S/C13H13NO3/c15-13(16)10-3-1-2-9(10)8-4-5-12-11(6-8)14-7-17-12/h4-7,9-10H,1-3H2,(H,15,16)/t9-,10-/m1/s1

InChIKey:

CEOXRGWJSDSYHN-NXEZZACHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc2c(cc1[C@H]3CCC[C@H]3C(=O)O)nco2
CACTVS 3.385	OC(=O)[CH]1CCC[CH]1c2ccc3ocnc3c2
CACTVS 3.385	OC(=O)[C@@H]1CCC[C@@H]1c2ccc3ocnc3c2
OpenEye OEToolkits 3.1.0.0	c1cc2c(cc1C3CCCC3C(=O)O)nco2
ACDLabs 14.52	O=C(O)C1CCCC1c1cc2ncoc2cc1

Name:

(1R,2S)-2-(1,3-benzoxazol-5-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).