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BioLiP

PDB CCD ID: W04
Number of entries in BioLiP: 1
Chemical formula: C9 H13 N3 O
InChI: InChI=1S/C9H13N3O/c1-7-3-4-11-8(5-7)12-9(13)6-10-2/h3-5,10H,6H2,1-2H3,(H,11,12,13)
InChIKey: MKMXMYQLOQBORD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccnc(c1)NC(=O)CNC
ACDLabs 12.01N(C(=O)CNC)c1cc(ccn1)C
CACTVS 3.385CNCC(=O)Nc1cc(C)ccn1
Name:N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide
ChEMBL: CHEMBL4528458
ZINC: ZINC000019844240
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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