SEQ2FUN

BioLiP

PDB CCD ID: LQT
Number of entries in BioLiP: 2
Chemical formula: C15 H25 N5 O2
InChI: InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
InChIKey: PNFMVADNCOGWME-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
OpenEye OEToolkits 1.7.6CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N
Name:2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide;
KDOAM25A
ChEMBL: CHEMBL4078388
ZINC: ZINC000263620895
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).