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BioLiP

PDB CCD ID: M19
Number of entries in BioLiP: 1
Chemical formula: C15 H11 Cl F N3 O3
InChI: InChI=1S/C15H11ClFN3O3/c1-23-14-5-10-7(2-13(14)22)15(19-6-18-10)20-11-3-8(16)9(17)4-12(11)21/h2-6,21-22H,1H3,(H,18,19,20)
InChIKey: FFOVHTBAXFHJMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc2c(cc1O)c(ncn2)Nc3cc(c(cc3O)F)Cl
CACTVS 3.385COc1cc2ncnc(Nc3cc(Cl)c(F)cc3O)c2cc1O
ACDLabs 12.01Clc1cc(Nc2ncnc3cc(OC)c(O)cc32)c(O)cc1F
Name:4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol
ChEMBL: CHEMBL5206697
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).
  • 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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