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BioLiP

PDB CCD ID: IN2
Number of entries in BioLiP: 1
Chemical formula: C8 H18 N4 O3
InChI: InChI=1S/C8H18N4O3/c1-11(2)7(13)10-12(8(14)15)6-4-3-5-9/h3-6,9H2,1-2H3,(H,10,13)(H,14,15)
InChIKey: NKYYGDMMHLUQBA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(NN(C(=O)O)CCCCN)N(C)C
OpenEye OEToolkits 1.5.0CN(C)C(=O)NN(CCCCN)C(=O)O
CACTVS 3.341CN(C)C(=O)NN(CCCCN)C(O)=O
Name:N,N-DIMETHYLCARBAMOYL-ALPHA-AZALYSINE
ZINC: ZINC000024680440
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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