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BioLiP Library

PDB CCD ID: BV9
Number of entries in BioLiP: 1
Chemical formula: C16 H14 N4 O
InChI: InChI=1S/C16H14N4O/c1-20-10-15(9-19-20)14-6-13(7-18-8-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)
InChIKey: MUFGPGISRVJPDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N
CACTVS 3.385Cn1cc(cn1)c2cncc(c2)c3ccc(cc3)C(N)=O
Name:4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide
ChEMBL: CHEMBL4457368
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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