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BioLiP

PDB CCD ID: D64
Number of entries in BioLiP: 4
Chemical formula: C15 H14 N4
InChI: InChI=1S/C15H14N4/c1-9-2-4-10(5-3-9)11-6-7-13-12(8-11)14(16)19-15(17)18-13/h2-8H,1H3,(H4,16,17,18,19)
InChIKey: NTHVHSAKVYNNGQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1ccc(cc1)c2ccc3nc(N)nc(N)c3c2
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N
ACDLabs 10.04n3c1c(cc(cc1)c2ccc(cc2)C)c(nc3N)N
Name:6-(4-methylphenyl)quinazoline-2,4-diamine
ZINC: ZINC000058632672
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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