BioLiP

PDB

BioLiP

PDB CCD ID:

7QC

Number of entries in BioLiP:

Chemical formula:

C20 H20 N4 O2

InChI:

InChI=1S/C20H20N4O2/c1-24-12-23-19(20(24)15-6-4-13(10-21)5-7-15)18-16(25-2)8-14(11-22)9-17(18)26-3/h4-9,12H,11,22H2,1-3H3

InChIKey:

ZMYTUDHTGNNWHO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(CN)cc(OC)c1c2ncn(C)c2c3ccc(cc3)C#N
OpenEye OEToolkits 2.0.7	Cn1cnc(c1c2ccc(cc2)C#N)c3c(cc(cc3OC)CN)OC

Name:

4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile

ChEMBL:

CHEMBL5189001

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).