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BioLiP

PDB CCD ID: NQO
Number of entries in BioLiP: 1
Chemical formula: C13 H12 Cl N3 O
InChI: InChI=1S/C13H12ClN3O/c1-9-5-6-15-17-13(9)16-12(18)8-10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,16,17,18)
InChIKey: ZNGNXXLXHHJCCJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccnnc1NC(=O)Cc2cccc(Cl)c2
OpenEye OEToolkits 2.0.7Cc1ccnnc1NC(=O)Cc2cccc(c2)Cl
ACDLabs 12.01Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1
Name:2-(3-chlorophenyl)-N-(4-methylpyridazin-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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