SEQ2FUN

BioLiP

PDB CCD ID: HZ8
Number of entries in BioLiP: 1
Chemical formula: C18 H27 N5
InChI: InChI=1S/C18H27N5/c1-5-22(3)17-15-8-6-7-9-16(15)19-18(20-17)23(4)14-10-12-21(2)13-11-14/h6-9,14H,5,10-13H2,1-4H3
InChIKey: SNYUVAMIFMFCIL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN(C)c1nc(nc2ccccc12)N(C)C3CCN(C)CC3
OpenEye OEToolkits 2.0.6CCN(C)c1c2ccccc2nc(n1)N(C)C3CCN(CC3)C
Name:~{N}4-ethyl-~{N}2,~{N}4-dimethyl-~{N}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
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).