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BioLiP

PDB CCD ID: 64S
Number of entries in BioLiP: 1
Chemical formula: C12 H15 N3 O2
InChI: InChI=1S/C12H15N3O2/c1-4-13-12-8-5-10(16-2)11(17-3)6-9(8)14-7-15-12/h5-7H,4H2,1-3H3,(H,13,14,15)
InChIKey: XPYCWBYQQPWQJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCNc1ncnc2cc(OC)c(OC)cc12
OpenEye OEToolkits 2.0.4CCNc1c2cc(c(cc2ncn1)OC)OC
ACDLabs 12.01c2(cc1c(c(NCC)ncn1)cc2OC)OC
Name:N-ethyl-6,7-dimethoxyquinazolin-4-amine
ZINC: ZINC000023642051
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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