SEQ2FUN

BioLiP

PDB CCD ID: ICO
Number of entries in BioLiP: 7
Chemical formula: C9 H7 N O2
InChI: InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
InChIKey: KMAKOBLIOCQGJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1c[nH]c2ccccc12
ACDLabs 10.04O=C(O)c2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C(=O)O
Name:1H-INDOLE-3-CARBOXYLIC ACID
ChEMBL: CHEMBL387527
ZINC: ZINC000000158741
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).