BioLiP

PDB

BioLiP

PDB CCD ID:

D64

Number of entries in BioLiP:

Chemical formula:

C15 H14 N4

InChI:

InChI=1S/C15H14N4/c1-9-2-4-10(5-3-9)11-6-7-13-12(8-11)14(16)19-15(17)18-13/h2-8H,1H3,(H4,16,17,18,19)

InChIKey:

NTHVHSAKVYNNGQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Cc1ccc(cc1)c2ccc3nc(N)nc(N)c3c2
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N
ACDLabs 10.04	n3c1c(cc(cc1)c2ccc(cc2)C)c(nc3N)N

Name:

6-(4-methylphenyl)quinazoline-2,4-diamine

ZINC:

ZINC000058632672

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).