BioLiP

PDB

BioLiP

PDB CCD ID:

A1D82

Number of entries in BioLiP:

Chemical formula:

C24 H26 N4 O3

InChI:

InChI=1S/C24H26N4O3/c1-14-3-4-20(29)15(2)22(14)18-11-17(12-19(23(18)25)24(26)30)16-5-6-27-21(13-16)28-7-9-31-10-8-28/h3-6,11-13,29H,7-10,25H2,1-2H3,(H2,26,30)

InChIKey:

YNPXBUGWZQVVNF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(c(c1c2cc(cc(c2N)C(=O)N)c3ccnc(c3)N4CCOCC4)C)O
CACTVS 3.385	Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccnc(c3)N4CCOCC4

Name:

2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide

ChEMBL:

CHEMBL5598536

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).