BioLiP

PDB

BioLiP

PDB CCD ID:

S2Z

Number of entries in BioLiP:

Chemical formula:

C19 H21 N3 O2

InChI:

InChI=1S/C19H21N3O2/c1-12(14-8-6-5-7-9-14)20-19-15-10-17(23-3)18(24-4)11-16(15)21-13(2)22-19/h5-12H,1-4H3,(H,20,21,22)/t12-/m1/s1

InChIKey:

SQSDNOVLVOTMJE-GFCCVEGCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1nc2cc(c(cc2c(n1)NC(C)c3ccccc3)OC)OC
CACTVS 3.385	COc1cc2nc(C)nc(N[C@H](C)c3ccccc3)c2cc1OC
OpenEye OEToolkits 2.0.7	Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccccc3)OC)OC
CACTVS 3.385	COc1cc2nc(C)nc(N[CH](C)c3ccccc3)c2cc1OC

Name:

6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine

ChEMBL:

CHEMBL5087955

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).