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BioLiP

PDB CCD ID: D0P
Number of entries in BioLiP: 1
Chemical formula: C14 H11 F2 N O2 S
InChI: InChI=1S/C14H11F2NO2S/c15-9-2-3-10(11(16)6-9)8-1-4-13(18)12(5-8)17-14(19)7-20/h1-6,18,20H,7H2,(H,17,19)
InChIKey: LYFMUHLLGBRDOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1c2ccc(cc2F)F)NC(=O)CS)O
ACDLabs 12.01c2(ccc(c1ccc(c(NC(CS)=O)c1)O)c(c2)F)F
CACTVS 3.385Oc1ccc(cc1NC(=O)CS)c2ccc(F)cc2F
Name:N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide
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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