SEQ2FUN

BioLiP

PDB CCD ID: 1F1
Number of entries in BioLiP: 13
Chemical formula: C9 H7 N O2
InChI: InChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,(H,11,12)
InChIKey: GHTDODSYDCPOCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC(=O)c1ccc2cc[nH]c2c1
ACDLabs 11.02O=C(O)c1ccc2c(c1)ncc2
OpenEye OEToolkits 1.7.0c1cc(cc2c1cc[nH]2)C(=O)O
Name:1H-indole-6-carboxylic acid
ChEMBL: CHEMBL1229732
ZINC: ZINC000000058267
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).