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BioLiP

PDB CCD ID: HDU
Number of entries in BioLiP: 1
Chemical formula: C14 H13 N5 O
InChI: InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20)
InChIKey: ZCRPPLDDHBLUES-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C
CACTVS 3.341CC(=O)Nc1nccc(n1)c2n3ccccc3nc2C
ACDLabs 10.04O=C(Nc1nccc(n1)c2c(nc3ccccn23)C)C
Name:N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE
ChEMBL: CHEMBL99842
DrugBank: DB02538
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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