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BioLiP

PDB CCD ID: IRG
Number of entries in BioLiP: 11
Chemical formula: C17 H16 N4
InChI: InChI=1S/C17H16N4/c18-12-6-9-14-15(10-12)20-16(11-4-2-1-3-5-11)21-17(14)19-13-7-8-13/h1-6,9-10,13H,7-8,18H2,(H,19,20,21)
InChIKey: WCANXWUISJCJOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1c(ccc(c1)N)c(nc2c3ccccc3)NC4CC4
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N
CACTVS 3.370Nc1ccc2c(NC3CC3)nc(nc2c1)c4ccccc4
Name:N~4~-cyclopropyl-2-phenylquinazoline-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).
  • 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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