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BioLiP

PDB CCD ID: LPF
Number of entries in BioLiP: 2
Chemical formula: C18 H23 F3 N2 O3
InChI: InChI=1S/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15-/m0/s1
InChIKey: MZNXJCZDQRNGRC-GJZGRUSLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)NC(=O)C
CACTVS 3.341CC(C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)C(=O)C(F)(F)F
ACDLabs 10.04FC(F)(F)C(=O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1
CACTVS 3.341CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F)NC(=O)C
Name:1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
DrugBank: DB08119
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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