SEQ2FUN

BioLiP

PDB CCD ID: 4JP
Number of entries in BioLiP: 1
Chemical formula: C7 H6 N2
InChI: InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H
InChIKey: XWIYUCRMWCHYJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc[nH]2)nc1
CACTVS 3.370[nH]1ccc2ncccc12
ACDLabs 12.01n1cccc2c1ccn2
Name:1H-pyrrolo[3,2-b]pyridine
ChEMBL: CHEMBL5184883
ZINC: ZINC000002040899
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).