SEQ2FUN

BioLiP

PDB CCD ID: A1BM3
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N3 O
InChI: InChI=1S/C10H15N3O/c1-4-13(5-2)10(14)9-6-7-11-8(3)12-9/h6-7H,4-5H2,1-3H3
InChIKey: MBLSTDCRYDGJKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CCN(CC)C(=O)c1ccnc(n1)C
CACTVS 3.385CCN(CC)C(=O)c1ccnc(C)n1
ACDLabs 14.52O=C(c1ccnc(C)n1)N(CC)CC
Name:N,N-diethyl-2-methylpyrimidine-4-carboxamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).