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BioLiP

PDB CCD ID: Y5B
Number of entries in BioLiP: 1
Chemical formula: C28 H21 F6 N O3 S
InChI: InChI=1S/C28H21F6NO3S/c29-27(30,31)26(36,28(32,33)34)23-15-17-24(18-16-23)35(39(37,38)25-9-5-2-6-10-25)19-20-11-13-22(14-12-20)21-7-3-1-4-8-21/h1-18,36H,19H2
InChIKey: QNAWYCWKQPMYME-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(c1ccc(cc1)N(Cc2ccc(cc2)c3ccccc3)[S](=O)(=O)c4ccccc4)(C(F)(F)F)C(F)(F)F
ACDLabs 12.01O=S(=O)(N(Cc1ccc(cc1)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc(cc2)CN(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccccc4
Name:N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
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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