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BioLiP Library

PDB CCD ID: WWT
Number of entries in BioLiP: 1
Chemical formula: C10 H12 N4 O2
InChI: InChI=1S/C10H12N4O2/c1-2-4-12-9(15)6-3-5-11-8-7(6)13-10(16)14-8/h3,5H,2,4H2,1H3,(H,12,15)(H2,11,13,14,16)
InChIKey: JAOVHLJGWXTEMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CCCNC(=O)c1ccnc2[NH]c(O)nc12
OpenEye OEToolkits 2.0.7CCCNC(=O)c1ccnc2c1nc([nH]2)O
CACTVS 3.385CCCNC(=O)c1ccnc2[nH]c(O)nc12
Name:2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-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)(download the PDF file).
  • 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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