SEQ2FUN

BioLiP

PDB CCD ID: 1MJ
Number of entries in BioLiP: 1
Chemical formula: C8 H6 N2 O
InChI: InChI=1S/C8H6N2O/c11-5-6-3-8-7(10-4-6)1-2-9-8/h1-5,9H
InChIKey: HRLUESWIQOAEBQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O=Cc1cnc2cc[nH]c2c1
ACDLabs 12.01O=Cc1cc2c(nc1)ccn2
OpenEye OEToolkits 1.7.6c1c[nH]c2c1ncc(c2)C=O
Name:1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
ZINC: ZINC000014401108
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).