SEQ2FUN

BioLiP

PDB CCD ID: MQ1
Number of entries in BioLiP: 2
Chemical formula: C15 H14 N4 O2
InChI: InChI=1S/C15H14N4O2/c1-20-9-5-7-10(8-6-9)21-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
InChIKey: CPZJZAIZIMCJRC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc(cc1)Oc2cccc3c2c(nc(n3)N)N
CACTVS 3.341COc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1
ACDLabs 10.04n3c2c(c(Oc1ccc(OC)cc1)ccc2)c(nc3N)N
Name:5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE
DrugBank: DB02402
ZINC: ZINC000012502021
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).