BioLiP

PDB

BioLiP

PDB CCD ID:

64S

Number of entries in BioLiP:

Chemical formula:

C12 H15 N3 O2

InChI:

InChI=1S/C12H15N3O2/c1-4-13-12-8-5-10(16-2)11(17-3)6-9(8)14-7-15-12/h5-7H,4H2,1-3H3,(H,13,14,15)

InChIKey:

XPYCWBYQQPWQJO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCNc1ncnc2cc(OC)c(OC)cc12
OpenEye OEToolkits 2.0.4	CCNc1c2cc(c(cc2ncn1)OC)OC
ACDLabs 12.01	c2(cc1c(c(NCC)ncn1)cc2OC)OC

Name:

N-ethyl-6,7-dimethoxyquinazolin-4-amine

ZINC:

ZINC000023642051

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).