BioLiP

PDB

BioLiP

PDB CCD ID:

HK7

Number of entries in BioLiP:

Chemical formula:

C20 H15 N3 O2

InChI:

InChI=1S/C20H15N3O2/c21-19(24)14-6-2-1-5-13(14)12-9-10-15-18(11-12)22-16-7-3-4-8-17(16)23-20(15)25/h1-11,22H,(H2,21,24)(H,23,25)

InChIKey:

XLSKYJYTEGNOBA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)c2ccc3c(c2)Nc4ccccc4NC3=O)C(=O)N
ACDLabs 12.01	O=C(N)c1ccccc1c4cc3Nc2c(cccc2)NC(=O)c3cc4
CACTVS 3.370	NC(=O)c1ccccc1c2ccc3C(=O)Nc4ccccc4Nc3c2

Name:

2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzamide

ChEMBL:

CHEMBL563187

ZINC:

ZINC000043068878

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).