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BioLiP Library

PDB CCD ID: 8O3
Number of entries in BioLiP: 4
Chemical formula: C14 H16 F3 N3 O2
InChI: InChI=1S/C14H16F3N3O2/c15-10-6-12(17)11(16)4-8(10)3-9(18)5-14(22)20-2-1-19-13(21)7-20/h4,6,9H,1-3,5,7,18H2,(H,19,21)/t9-/m1/s1
InChIKey: SLQOQKROMQOJLJ-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c(c(cc(c1F)F)F)CC(CC(=O)N2CCNC(=O)C2)N
ACDLabs 12.01C(=O)(CC(Cc1c(cc(F)c(c1)F)F)N)N2CC(NCC2)=O
OpenEye OEToolkits 2.0.6c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCNC(=O)C2)N
CACTVS 3.385N[CH](CC(=O)N1CCNC(=O)C1)Cc2cc(F)c(F)cc2F
CACTVS 3.385N[C@@H](CC(=O)N1CCNC(=O)C1)Cc2cc(F)c(F)cc2F
Name:(R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one
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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