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BioLiP

PDB CCD ID: UZ3
Number of entries in BioLiP: 2
Chemical formula: C15 H13 Cl2 N3 O3
InChI: InChI=1S/C15H13Cl2N3O3/c1-23-11-2-3-12(14(18)21)13(7-11)20-15(22)19-10-5-8(16)4-9(17)6-10/h2-7H,1H3,(H2,18,21)(H2,19,20,22)
InChIKey: LGINOCHKOLUZAO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(c(c1)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N
CACTVS 3.385COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
Name:2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-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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