SEQ2FUN

BioLiP

PDB CCD ID: A1CLX
Number of entries in BioLiP: 2
Chemical formula: C13 H11 N O2 S
InChI: InChI=1S/C13H11NO2S/c15-13(16)10-3-1-2-9(10)8-4-5-11-12(6-8)17-7-14-11/h4-7H,1-3H2,(H,15,16)
InChIKey: NQZZAIZKLNOIOU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1C3=C(CCC3)C(=O)O)scn2
ACDLabs 14.52O=C(O)C=1CCCC=1c1ccc2ncsc2c1
CACTVS 3.385OC(=O)C1=C(CCC1)c2ccc3ncsc3c2
Name:(2P)-2-(1,3-benzothiazol-6-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).