SEQ2FUN

BioLiP

PDB CCD ID: A1AXT
Number of entries in BioLiP: 0
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c1-11-8-7-6(2-4-9-7)3-5-10-8/h2-5,9H,1H3
InChIKey: RHEGHTSBMVYYAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01COc1nccc2cc[NH]c12
OpenEye OEToolkits 2.0.7COc1c2c(cc[nH]2)ccn1
CACTVS 3.385COc1nccc2cc[nH]c12
Name:7-methoxy-1H-pyrrolo[2,3-c]pyridine
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).