BioLiP

PDB

BioLiP

PDB CCD ID:

ZVH

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-/m0/s1

InChIKey:

GTNCFHPRVUWUBC-IUCAKERBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cscc1C2CCCC2C(=O)O
CACTVS 3.385	OC(=O)[C@H]1CCC[C@H]1c2cscc2
ACDLabs 12.01	O=C(O)C1CCCC1c1ccsc1
CACTVS 3.385	OC(=O)[CH]1CCC[CH]1c2cscc2
OpenEye OEToolkits 2.0.7	c1cscc1[C@@H]2CCC[C@@H]2C(=O)O

Name:

(1S,2R)-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).