BioLiP

PDB

BioLiP

PDB CCD ID:

NQ1

Number of entries in BioLiP:

Chemical formula:

C20 H15 F N2 O

InChI:

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

InChIKey:

NKFCUHMOEKHJLB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F
ACDLabs 12.01	c32C(N(c1cc(F)ccc1Nc2cccc3)Cc4ccccc4)=O
CACTVS 3.385	Fc1ccc2Nc3ccccc3C(=O)N(Cc4ccccc4)c2c1

Name:

10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

ChEMBL:

CHEMBL4520903

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).