SEQ2FUN

BioLiP

PDB CCD ID: GVH
Number of entries in BioLiP: 9
Chemical formula: C7 H6 N2
InChI: InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
InChIKey: MVXVYAKCVDQRLW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2cc[nH]c2nc1
CACTVS 3.341[nH]1ccc2cccnc12
ACDLabs 10.04n1cccc2c1ncc2
Name:1H-PYRROLO[2,3-B]PYRIDINE
ChEMBL: CHEMBL389685
ZINC: ZINC000015442276
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).