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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 1Y2
Number of entries in BioLiP: 0
Chemical formula: C8 H13 F2 N O2
InChI: InChI=1S/C8H13F2NO2/c9-8(10)3-1-5(2-4-8)6(11)7(12)13/h5-6H,1-4,11H2,(H,12,13)/t6-/m0/s1
InChIKey: HOACGGSRPGHQFC-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](C1CCC(F)(F)CC1)C(O)=O
ACDLabs 12.01FC1(F)CCC(C(C(=O)O)N)CC1
OpenEye OEToolkits 1.7.6C1CC(CCC1[C@@H](C(=O)O)N)(F)F
OpenEye OEToolkits 1.7.6C1CC(CCC1C(C(=O)O)N)(F)F
CACTVS 3.385N[CH](C1CCC(F)(F)CC1)C(O)=O
Name:(2S)-amino(4,4-difluorocyclohexyl)ethanoic acid
ZINC: ZINC000039928053

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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