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BioLiP

PDB CCD ID: UZX
Number of entries in BioLiP: 3
Chemical formula: C14 H11 Cl2 N3 O2
InChI: InChI=1S/C14H11Cl2N3O2/c15-8-5-9(16)7-10(6-8)18-14(21)19-12-4-2-1-3-11(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21)
InChIKey: CKNONNNNSSNDHJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)N)NC(=O)Nc2cc(cc(c2)Cl)Cl
Name:2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide
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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