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BioLiP

PDB CCD ID: 7W2
Number of entries in BioLiP: 0
Chemical formula: C11 H10 F5 N O2
InChI: InChI=1S/C11H10F5NO2/c12-6-3-5(1-2-8(17)10(18)19)4-7(13)9(6)11(14,15)16/h3-4,8H,1-2,17H2,(H,18,19)/t8-/m0/s1
InChIKey: IPKHUYODNKUTOQ-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CCc1cc(F)c(c(F)c1)C(F)(F)F)C(O)=O
OpenEye OEToolkits 2.0.7c1c(cc(c(c1F)C(F)(F)F)F)CC[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCc1cc(F)c(c(F)c1)C(F)(F)F)C(O)=O
OpenEye OEToolkits 2.0.7c1c(cc(c(c1F)C(F)(F)F)F)CCC(C(=O)O)N
Name:(2S)-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid
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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