BioLiP

PDB

BioLiP

PDB CCD ID:

K7H

Number of entries in BioLiP:

Chemical formula:

C10 H12 N6

InChI:

InChI=1S/C10H12N6/c1-12-10-15-7-2-5-4-13-9(11)14-6(5)3-8(7)16-10/h2-3H,4H2,1H3,(H3,11,13,14)(H2,12,15,16)

InChIKey:

WOZSIFRDDMKMGG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNc1[nH]c2cc3N=C(N)NCc3cc2n1
OpenEye OEToolkits 2.0.7	CNc1[nH]c2cc3c(cc2n1)CNC(=N3)N

Name:

~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine

ChEMBL:

CHEMBL4645921

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).