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BioLiP

PDB CCD ID: 2Z5
Number of entries in BioLiP: 1
Chemical formula: C18 H23 F6 N4 O3
InChI: InChI=1S/C18H22F6N4O3/c1-10(14(29)27-12-7-5-11(6-8-12)17(19,20)21)26-15(30)13(4-2-3-9-25)28-16(31)18(22,23)24/h5-8,10,13H,2-4,9,25H2,1H3,(H,26,30)(H,27,29)(H,28,31)/p+1/t10-,13-/m0/s1
InChIKey: HGUBHDYUXLPGND-GWCFXTLKSA-O
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(Nc1ccc(cc1)C(F)(F)F)C(NC(=O)C(NC(=O)C(F)(F)F)CCCC[NH3+])C
CACTVS 3.352C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)C(F)(F)F
CACTVS 3.352C[CH](NC(=O)[CH](CCCC[NH3+])NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)C(F)(F)F
Name:6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide
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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