BioLiP

PDB

BioLiP

PDB CCD ID:

048

Number of entries in BioLiP:

Chemical formula:

C24 H21 F N2 O2

InChI:

InChI=1S/C24H21FN2O2/c25-21-13-11-19(15-22(21)27-24(29)16-6-2-1-3-7-16)26-18-10-12-20-17(14-18)8-4-5-9-23(20)28/h1-3,6-7,10-15,26H,4-5,8-9H2,(H,27,29)

InChIKey:

ATBLOTYVKHVLPU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCCCC4=O
CACTVS 3.370	Fc1ccc(Nc2ccc3C(=O)CCCCc3c2)cc1NC(=O)c4ccccc4
ACDLabs 12.01	Fc2ccc(cc2NC(=O)c1ccccc1)Nc4cc3c(C(=O)CCCC3)cc4

Name:

N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide

ChEMBL:

CHEMBL2177219

ZINC:

ZINC000095574485

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).