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BioLiP

PDB CCD ID: LRC
Number of entries in BioLiP: 1
Chemical formula: C13 H12 Cl N3 O
InChI: InChI=1S/C13H12ClN3O/c1-9-2-3-15-8-12(9)17-13(18)5-10-4-11(14)7-16-6-10/h2-4,6-8H,5H2,1H3,(H,17,18)
InChIKey: OCRRKPZGCOGESB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)Cc2cc(cnc2)Cl
ACDLabs 12.01O=C(Nc1cnccc1C)Cc1cc(Cl)cnc1
CACTVS 3.385Cc1ccncc1NC(=O)Cc2cncc(Cl)c2
Name:2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
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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