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BioLiP

PDB CCD ID: 7A7
Number of entries in BioLiP: 3
Chemical formula: C18 H14 F N5 O2 S
InChI: InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)/b20-16+
InChIKey: RYBNARZBIXTFJS-CAPFRKAQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5COc1ccc(c(c1)F)Nc2c3c(ccc4c3sc(n4)C(=N)OC)ncn2
CACTVS 3.385COC(=N)c1sc2c(ccc3ncnc(Nc4ccc(OC)cc4F)c23)n1
OpenEye OEToolkits 2.0.5[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC
Name:methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
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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