BioLiP

PDB

BioLiP

PDB CCD ID:

P4M

Number of entries in BioLiP:

Chemical formula:

C13 H15 N O3

InChI:

InChI=1S/C13H15NO3/c1-14-5-4-9-6-11(16-2)12(17-3)7-10(9)8-13(14)15/h4-7H,8H2,1-3H3

InChIKey:

SNBSBSFGIKHBLT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CN1C=Cc2cc(c(cc2CC1=O)OC)OC
CACTVS 3.385	COc1cc2CC(=O)N(C)C=Cc2cc1OC

Name:

7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one;
7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one

ChEMBL:

CHEMBL5219474

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).