BioLiP

PDB

BioLiP

PDB CCD ID:

III

Number of entries in BioLiP:

Chemical formula:

C14 H18 N4

InChI:

InChI=1S/C14H18N4/c1-17(2)13-11-7-3-4-8-12(11)15-14(16-13)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3

InChIKey:

VONNLDQOEHSECV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN(C)c1c2ccccc2nc(n1)N3CCCC3
CACTVS 3.385	CN(C)c1nc(nc2ccccc12)N3CCCC3

Name:

~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine

ZINC:

ZINC000041147074

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).