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BioLiP Library

PDB CCD ID: 6RG
Number of entries in BioLiP: 2
Chemical formula: C22 H20 N4
InChI: InChI=1S/C22H20N4/c23-18-11-12-19-20(15-18)25-21(17-9-5-2-6-10-17)26-22(19)24-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14,23H2,(H,24,25,26)
InChIKey: TZGHZEALSHYAJC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1ccc2c(NCCc3ccccc3)nc(nc2c1)c4ccccc4
ACDLabs 12.01n2c1c(ccc(c1)N)c(nc2c3ccccc3)NCCc4ccccc4
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccccc4)N
Name:2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine
ZINC: ZINC000095920856
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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