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BioLiP

PDB CCD ID: Y5T
Number of entries in BioLiP: 1
Chemical formula: C13 H10 Cl N3 O3
InChI: InChI=1S/C13H10ClN3O3/c1-8-6-9(4-5-15-8)16-13(18)11-7-10(17(19)20)2-3-12(11)14/h2-7H,1H3,(H,15,16,18)
InChIKey: SQONBECQQLGCLE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		Cc1cc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)ccn1
OpenEye OEToolkits 2.0.7Cc1cc(ccn1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]
Name:2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide
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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