SEQ2FUN

BioLiP

PDB CCD ID: 4ZA
Number of entries in BioLiP: 1
Chemical formula: C7 H5 N O2 S
InChI: InChI=1S/C7H5NO2S/c9-7(10)5-3-4-1-2-11-6(4)8-5/h1-3,8H,(H,9,10)
InChIKey: SEPXFZLYPWFMSY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1[nH]c2sccc2c1
ACDLabs 12.01c12nc(C(O)=O)cc1ccs2
OpenEye OEToolkits 1.9.2c1csc2c1cc([nH]2)C(=O)O
Name:6H-thieno[2,3-b]pyrrole-5-carboxylic acid
ChEMBL: CHEMBL496305
ZINC: ZINC000008981465
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).