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BioLiP

PDB CCD ID: A1H4L
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N3
InChI: InChI=1S/C7H7N3/c8-7-2-1-5-6(10-7)3-4-9-5/h1-4,9H,(H2,8,10)
InChIKey: NOEYQOAKBMZXFX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc2[nH]ccc2n1
OpenEye OEToolkits 2.0.7c1cc(nc2c1[nH]cc2)N
Name:1H-pyrrolo[3,2-b]pyridin-5-amine;
HYDROXYETHYLAMINE BACE INHIBITOR
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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