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BioLiP Library

PDB CCD ID: OA4
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N4
InChI: InChI=1S/C15H14N4/c1-9-11(10-5-3-2-4-6-10)7-8-12-13(9)14(16)19-15(17)18-12/h2-8H,1H3,(H4,16,17,18,19)
InChIKey: HUCOXWPHDFINIW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3
ACDLabs 10.04n3c1c(c(c(cc1)c2ccccc2)C)c(nc3N)N
CACTVS 3.352Cc1c(ccc2nc(N)nc(N)c12)c3ccccc3
Name:5-methyl-6-phenylquinazoline-2,4-diamine
DrugBank: DB08317
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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