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BioLiP

PDB CCD ID: A1H4K
Number of entries in BioLiP: 2
Chemical formula: C13 H11 N5 O
InChI: InChI=1S/C13H11N5O/c14-9-3-5-16-10-6-11(18-12(9)10)13(19)17-8-2-1-4-15-7-8/h1-5,7H,6H2,(H2,14,16)(H,17,19)
InChIKey: WZTIBBQJLYUYSO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cnc1)NC(=O)C2=Nc3c(ccnc3C2)N
CACTVS 3.385Nc1ccnc2CC(=Nc12)C(=O)Nc3cccnc3
Name:7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide
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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