SEQ2FUN

BioLiP

PDB CCD ID: KXQ
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N O2
InChI: InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12)
InChIKey: IPDOBVFESNNYEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc2cc[nH]c12
OpenEye OEToolkits 2.0.7c1cc2cc[nH]c2c(c1)C(=O)O
Name:1~{H}-indole-7-carboxylic acid
ChEMBL: CHEMBL2018159
ZINC: ZINC000000158095
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).