BioLiP

PDB

BioLiP

PDB CCD ID:

W2G

Number of entries in BioLiP:

Chemical formula:

C10 H12 O2 S

InChI:

InChI=1S/C10H12O2S/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H,11,12)/t8-,9-/m1/s1

InChIKey:

GTNCFHPRVUWUBC-RKDXNWHRSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C2C(c1ccsc1)C(C(O)=O)CC2
OpenEye OEToolkits 2.0.7	c1cscc1C2CCCC2C(=O)O
OpenEye OEToolkits 2.0.7	c1cscc1[C@H]2CCC[C@H]2C(=O)O
CACTVS 3.385	OC(=O)[CH]1CCC[CH]1c2cscc2
CACTVS 3.385	OC(=O)[C@@H]1CCC[C@@H]1c2cscc2

Name:

(1R,2S)-2-(thiophen-3-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).