SEQ2FUN

BioLiP

PDB CCD ID: EYJ
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N O2 S
InChI: InChI=1S/C10H9NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13)
InChIKey: WHNQTHDJEZTVHS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCc1sc2ccccc2n1
ACDLabs 12.01C(Cc1sc2c(n1)cccc2)C(O)=O
OpenEye OEToolkits 2.0.6c1ccc2c(c1)nc(s2)CCC(=O)O
Name:3-(1,3-benzothiazol-2-yl)propanoic acid
ChEMBL: CHEMBL4203995
ZINC: ZINC000000253409
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).