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BioLiP

PDB CCD ID: 0DF
Number of entries in BioLiP: 2
Chemical formula: C13 H11 N3 O
InChI: InChI=1S/C13H11N3O/c1-16-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(16)17/h2-8H,1H3,(H,14,15,17)
InChIKey: PDYMCBRGMDRAPX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CN1C(=O)Nc2ncc(cc12)c3ccccc3
OpenEye OEToolkits 1.7.6CN1c2cc(cnc2NC1=O)c3ccccc3
ACDLabs 12.01O=C2Nc1ncc(cc1N2C)c3ccccc3
Name:1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
ChEMBL: CHEMBL1956634
ZINC: ZINC000006756209
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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