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BioLiP Library

PDB CCD ID: 7WC
Number of entries in BioLiP: 0
Chemical formula: C7 H14 N2 O3
InChI: InChI=1S/C7H14N2O3/c1-8-5(4-6(10)11)7(12)9(2)3/h5,8H,4H2,1-3H3,(H,10,11)/t5-/m0/s1
InChIKey: WKRJPGKRIIJGQE-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(CC(=O)O)C(=O)N(C)C
CACTVS 3.385CN[C@@H](CC(O)=O)C(=O)N(C)C
CACTVS 3.385CN[CH](CC(O)=O)C(=O)N(C)C
OpenEye OEToolkits 2.0.7CN[C@@H](CC(=O)O)C(=O)N(C)C
Name:(3S)-4-(dimethylamino)-3-(methylamino)-4-oxidanylidene-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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