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BioLiP

PDB CCD ID: KBV
Number of entries in BioLiP: 0
Chemical formula: C14 H21 N O2
InChI: InChI=1S/C14H21NO2/c1-14(2,3)11-6-4-10(5-7-11)8-12(15)9-13(16)17/h4-7,12H,8-9,15H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKey: KDMFJTJDCJZSGE-GFCCVEGCSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC(Cc1ccc(C(C)(C)C)cc1)CC(=O)O
CACTVS 3.385CC(C)(C)c1ccc(C[CH](N)CC(O)=O)cc1
CACTVS 3.385CC(C)(C)c1ccc(C[C@@H](N)CC(O)=O)cc1
OpenEye OEToolkits 2.0.6CC(C)(C)c1ccc(cc1)CC(CC(=O)O)N
OpenEye OEToolkits 2.0.6CC(C)(C)c1ccc(cc1)C[C@H](CC(=O)O)N
Name:(3R)-3-amino-4-(4-tert-butylphenyl)butanoic acid
ZINC: ZINC000002504870
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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