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BioLiP

PDB CCD ID: FG9
Number of entries in BioLiP: 1
Chemical formula: C18 H22 N6 O
InChI: InChI=1S/C18H22N6O/c19-16-15-2-4-20-11-13(15)10-14-12-22-18(23-17(14)16)21-3-1-5-24-6-8-25-9-7-24/h2,4,10-12H,1,3,5-9,19H2,(H,21,22,23)
InChIKey: LRBZZLHCFITOFC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N
CACTVS 3.385Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13
Name:~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
ChEMBL: CHEMBL4748345
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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