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BioLiP

PDB CCD ID: 6KY
Number of entries in BioLiP: 1
Chemical formula: C7 H15 N O2 Se
InChI: InChI=1S/C7H15NO2Se/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKey: HLLONANTKRYYCG-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CN(C)C(CC[Se]C)C(=O)O
CACTVS 3.385C[Se]CC[C@H](N(C)C)C(O)=O
OpenEye OEToolkits 2.0.4CN(C)[C@@H](CC[Se]C)C(=O)O
CACTVS 3.385C[Se]CC[CH](N(C)C)C(O)=O
ACDLabs 12.01N(C)(C(CC[Se]C)C(=O)O)C
Name:(2S)-2-(dimethylamino)-4-(methylselanyl)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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