SEQ2FUN

BioLiP

PDB CCD ID: 4WL
Number of entries in BioLiP: 4
Chemical formula: C7 H5 N O2 S
InChI: InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
InChIKey: PMHDSACGRKBACK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1csc2c1[nH]c(c2)C(=O)O
ACDLabs 12.01O=C(O)c2cc1sccc1n2
CACTVS 3.385OC(=O)c1[nH]c2ccsc2c1
Name:4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID
ChEMBL: CHEMBL507614
ZINC: ZINC000004234974
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).