SEQ2FUN

BioLiP

PDB CCD ID: A1H4P
Number of entries in BioLiP: 2
Chemical formula: C13 H10 N2
InChI: InChI=1S/C13H10N2/c1-2-5-10(6-3-1)11-9-15-12-7-4-8-14-13(11)12/h1-9,15H
InChIKey: DXJFWRGMIGRYFA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2c[nH]c3c2nccc3
CACTVS 3.385[nH]1cc(c2ccccc2)c3ncccc13
Name:3-phenyl-1H-pyrrolo[3,2-b]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).