BioLiP

PDB

BioLiP

PDB CCD ID:

BGE

Number of entries in BioLiP:

Chemical formula:

C19 H21 N5 O

InChI:

InChI=1S/C19H21N5O/c1-14-19(22-13-21-14)15-6-7-20-18(12-15)23-16-2-4-17(5-3-16)24-8-10-25-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,20,23)(H,21,22)

InChIKey:

KJQAULYFYNEAHK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4
CACTVS 3.385	Cc1nc[nH]c1c2ccnc(Nc3ccc(cc3)N4CCOCC4)c2

Name:

4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine

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).