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BioLiP

PDB CCD ID: JNN
Number of entries in BioLiP: 1
Chemical formula: C13 H11 Cl2 N3 O4
InChI: InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)
InChIKey: JFGOILLZIAIYGA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl
CACTVS 3.385ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1
Name:5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide
ChEMBL: CHEMBL4469488
DrugBank: DB18068
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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