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BioLiP

PDB CCD ID: UFJ
Number of entries in BioLiP: 4
Chemical formula: C14 H19 I N2 O3
InChI: InChI=1S/C14H19IN2O3/c15-11-7-9-12(10-8-11)16-13(18)5-3-1-2-4-6-14(19)17-20/h7-10,20H,1-6H2,(H,16,18)(H,17,19)
InChIKey: BYVHZKAHBXINPL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1c(ccc(c1)NC(CCCCCCC(=O)NO)=O)I
OpenEye OEToolkits 2.0.7c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I
CACTVS 3.385ONC(=O)CCCCCCC(=O)Nc1ccc(I)cc1
Name:N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide
ChEMBL: CHEMBL1091578
ZINC: ZINC000049073018
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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