SEQ2FUN

BioLiP

PDB CCD ID: 4ZV
Number of entries in BioLiP: 2
Chemical formula: C9 H7 N O2
InChI: InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)
InChIKey: IENZCGNHSIMFJE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc2c(cc[nH]2)cc1C(=O)O
CACTVS 3.385OC(=O)c1ccc2[nH]ccc2c1
Name:1H-indole-5-carboxylic acid
ChEMBL: CHEMBL2018158
ZINC: ZINC000000155656
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).