SEQ2FUN

BioLiP

PDB CCD ID: ICB
Number of entries in BioLiP: 14
Chemical formula: C9 H7 N O2
InChI: InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
InChIKey: HCUARRIEZVDMPT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c2cc1ccccc1n2
OpenEye OEToolkits 1.9.2c1ccc2c(c1)cc([nH]2)C(=O)O
CACTVS 3.385OC(=O)c1[nH]c2ccccc2c1
Name:1H-indole-2-carboxylic acid
ChEMBL: CHEMBL278390
ZINC: ZINC000000145536
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).