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BioLiP

PDB CCD ID: 1VR
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O2
InChI: InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKey: GLUJNGJDHCTUJY-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)[CH](N)CC(O)=O
CACTVS 3.370CC(C)[C@H](N)CC(O)=O
OpenEye OEToolkits 1.7.6CC(C)C(CC(=O)O)N
OpenEye OEToolkits 1.7.6CC(C)[C@@H](CC(=O)O)N
ACDLabs 12.01O=C(O)CC(N)C(C)C
Name:(3R)-3-amino-4-methylpentanoic acid;
beta-3-homovaline
ZINC: ZINC000000170089
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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