SEQ2FUN

BioLiP

PDB CCD ID: 9FF
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N O
InChI: InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H
InChIKey: SBNOTUDDIXOFSN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc([nH]2)C=O
CACTVS 3.385O=Cc1[nH]c2ccccc2c1
Name:1H-indole-2-carbaldehyde
ChEMBL: CHEMBL223708
ZINC: ZINC000004100123
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).