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BioLiP

PDB CCD ID: 2JH
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N O2
InChI: InChI=1S/C7H13NO2/c8-6(7(9)10)4-5-2-1-3-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
InChIKey: SRGOJUDAJKUDAZ-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CC(C1)C[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H](CC1CCC1)C(O)=O
OpenEye OEToolkits 1.7.6C1CC(C1)CC(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CC1CCC1
CACTVS 3.385N[CH](CC1CCC1)C(O)=O
Name:3-cyclobutyl-L-alanine
ZINC: ZINC000044138044
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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