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BioLiP

PDB CCD ID: SEQ
Number of entries in BioLiP: 8
Chemical formula: C17 H21 N3
InChI: InChI=1S/C17H21N3/c1-2-6-13(7-3-1)18-17-14-8-4-5-9-15(14)19-16(20-17)12-10-11-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,19,20)
InChIKey: ZQMGQZOHIDOPCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(nc(n2)C3CC3)NC4CCCCC4
CACTVS 3.385C1CCC(CC1)Nc2nc(nc3ccccc23)C4CC4
Name:~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine;
TH10785
ZINC: ZINC000006773252
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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