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BioLiP

PDB CCD ID: OKC
Number of entries in BioLiP: 1
Chemical formula: C18 H20 N6 O2 S
InChI: InChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-2-15(17(16)18-21-23-24-22-18)14-6-4-12(5-7-14)13-8-10-20-11-9-13/h1-7,13,20H,8-11H2,(H2,19,25,26)(H,21,22,23,24)
InChIKey: JLWPVVFPXXZFHC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)S(=O)(=O)N)c2[nH]nnn2)c3ccc(cc3)C4CCNCC4
CACTVS 3.385N[S](=O)(=O)c1cccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4
ACDLabs 12.01NS(=O)(=O)c1cccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1
Name:(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
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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