BioLiP

PDB

BioLiP

PDB CCD ID:

SEQ

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(nc(n2)C3CC3)NC4CCCCC4
CACTVS 3.385	C1CCC(CC1)Nc2nc(nc3ccccc23)C4CC4

Name:

~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine;
TH10785

ZINC:

ZINC000006773252

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).