BioLiP

PDB

BioLiP

PDB CCD ID:

GDH

Number of entries in BioLiP:

Chemical formula:

C24 H26 N2 O2

InChI:

InChI=1S/C24H26N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,25H,9-12,16H2,1-2H3

InChIKey:

KYANYGKXMNYFBX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ccnc(c1)COc2cccc(c2c3ccc4c(c3)CCNCC4)OC
CACTVS 3.385	COc1cccc(OCc2cc(C)ccn2)c1c3ccc4CCNCCc4c3

Name:

7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{H}-3-benzazepine

ChEMBL:

CHEMBL4291402

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).