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BioLiP

PDB CCD ID: 6U7
Number of entries in BioLiP: 1
Chemical formula: C23 H21 N3 O3
InChI: InChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26)
InChIKey: PEKZLFZZBGBOPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4
CACTVS 3.385COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC
Name:6,7-dimethoxy-~{N}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine
ChEMBL: CHEMBL5315582
ZINC: ZINC000575624003
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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