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BioLiP

PDB CCD ID: X5P
Number of entries in BioLiP: 0
Chemical formula: C7 H11 N O5
InChI: InChI=1S/C7H11NO5/c1-4(7(12)13)8-5(9)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1
InChIKey: KAOMVEQNJVSESC-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H](C(=O)O)NC(=O)CCC(=O)O
CACTVS 3.385C[C@H](NC(=O)CCC(O)=O)C(O)=O
CACTVS 3.385C[CH](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(C(=O)O)NC(=O)CCC(=O)O
Name:4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
ChEMBL: CHEMBL77056
ZINC: ZINC000003175543
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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