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BioLiP

PDB CCD ID: WDH
Number of entries in BioLiP: 1
Chemical formula: C11 H18 N4 O
InChI: InChI=1S/C11H18N4O/c1-4-12-11(16)8-15(5-2)10-6-7-13-9(3)14-10/h6-7H,4-5,8H2,1-3H3,(H,12,16)
InChIKey: WLGVAJHCCALAOC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1nc(ccn1)N(CC(=O)NCC)CC
OpenEye OEToolkits 2.0.7CCNC(=O)CN(CC)c1ccnc(n1)C
CACTVS 3.385CCNC(=O)CN(CC)c1ccnc(C)n1
Name:N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide
ZINC: ZINC000084482835
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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