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BioLiP

PDB CCD ID: 6DH
Number of entries in BioLiP: 3
Chemical formula: C11 H11 F3 N2 O
InChI: InChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-8-9(6-7)16-10(15-8)2-1-5-17/h3-4,6,17H,1-2,5H2,(H,15,16)
InChIKey: FDRMNTVCDKSRNL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCCc1[nH]c2cc(ccc2n1)C(F)(F)F
OpenEye OEToolkits 1.7.6c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO
ACDLabs 12.01FC(F)(F)c1ccc2nc(nc2c1)CCCO
Name:3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
ZINC: ZINC000004243182
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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