BioLiP

PDB

BioLiP

PDB CCD ID:

O57

Number of entries in BioLiP:

Chemical formula:

C20 H15 F N2 O

InChI:

InChI=1S/C20H15FN2O/c21-15-10-11-17-16(12-15)20(24)23(13-14-6-2-1-3-7-14)19-9-5-4-8-18(19)22-17/h1-12,22H,13H2

InChIKey:

KPJCQYLIQBFEHH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccc2Nc3ccccc3N(Cc4ccccc4)C(=O)c2c1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F
ACDLabs 12.01	c1ccc(cc1)CN4C(c2cc(ccc2Nc3ccccc34)F)=O

Name:

10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

ChEMBL:

CHEMBL5180830

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).