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BioLiP

PDB CCD ID: 8OW
Number of entries in BioLiP: 1
Chemical formula: C21 H17 F N4
InChI: InChI=1S/C21H17FN4/c22-16-8-6-14(7-9-16)13-24-21-18-11-10-17(23)12-19(18)25-20(26-21)15-4-2-1-3-5-15/h1-12H,13,23H2,(H,24,25,26)
InChIKey: YRJQJSNYMBUYLI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N
CACTVS 3.385Nc1ccc2c(NCc3ccc(F)cc3)nc(nc2c1)c4ccccc4
Name:~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine
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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