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BioLiP Library

PDB CCD ID: SZC
Number of entries in BioLiP: 1
Chemical formula: C19 H18 F3 N3 O2 S
InChI: InChI=1S/C19H18F3N3O2S/c20-19(21,22)13-10-8-12(9-11-13)18-23-15-6-3-7-16(17(15)24-18)28(26,27)25-14-4-1-2-5-14/h3,6-11,14,25H,1-2,4-5H2,(H,23,24)
InChIKey: BCAADIRANQOVRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(c(c1)S(=O)(=O)NC3CCCC3)[nH]c(n2)c4ccc(cc4)C(F)(F)F
CACTVS 3.385FC(F)(F)c1ccc(cc1)c2[nH]c3c(cccc3[S](=O)(=O)NC4CCCC4)n2
Name:N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide
ZINC: ZINC000584905687

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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