SEQ2FUN

BioLiP

PDB CCD ID: EXG
Number of entries in BioLiP: 2
Chemical formula: C13 H11 N3
InChI: InChI=1S/C13H11N3/c1-2-5-11(6-3-1)9-16-10-15-13-12(16)7-4-8-14-13/h1-8,10H,9H2
InChIKey: AHFFRONGQSRICB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(ccccc1)Cn3c2cccnc2nc3
OpenEye OEToolkits 2.0.6c1ccc(cc1)Cn2cnc3c2cccn3
CACTVS 3.385C(n1cnc2ncccc12)c3ccccc3
Name:1-benzyl-1H-imidazo[4,5-b]pyridine
ChEMBL: CHEMBL4096768
ZINC: ZINC000038435336
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).