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BioLiP

PDB CCD ID: 5OJ
Number of entries in BioLiP: 3
Chemical formula: C17 H18 N2 O4
InChI: InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)
InChIKey: RFAZNTABYJYOAR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO
CACTVS 3.385OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c2ccccc2
Name:4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide;
HPOB
ChEMBL: CHEMBL4066043
ZINC: ZINC000143186542
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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