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BioLiP

PDB CCD ID: LHC
Number of entries in BioLiP: 0
Chemical formula: C8 H12 N4 O3
InChI: InChI=1S/C8H12N4O3/c9-5(7(13)14)1-3-12-4-2-6(10)11-8(12)15/h2,4-5H,1,3,9H2,(H,13,14)(H2,10,11,15)/t5-/m0/s1
InChIKey: FKWFMIJKLRYFAG-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)CCC(C(=O)O)N
CACTVS 3.341N[CH](CCN1C=CC(=NC1=O)N)C(O)=O
CACTVS 3.341N[C@@H](CCN1C=CC(=NC1=O)N)C(O)=O
ACDLabs 10.04O=C1N=C(C=CN1CCC(C(=O)O)N)N
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N
Name:(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid
ZINC: ZINC000058639014
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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