BioLiP

PDB

BioLiP

PDB CCD ID:

CV3

Number of entries in BioLiP:

Chemical formula:

C18 H13 F3 N2 O2

InChI:

InChI=1S/C18H13F3N2O2/c1-23-15(10-11-6-8-12(9-7-11)18(19,20)21)16(24)22-14-5-3-2-4-13(14)17(23)25/h2-10H,1H3,(H,22,24)/b15-10-

InChIKey:

NVEJUUHKRHQWHW-GDNBJRDFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1/C(=C\c2ccc(cc2)C(F)(F)F)/C(=O)Nc3ccccc3C1=O
OpenEye OEToolkits 2.0.7	CN1C(=Cc2ccc(cc2)C(F)(F)F)C(=O)Nc3ccccc3C1=O
CACTVS 3.385	CN1C(=O)c2ccccc2NC(=O)\C1=C\c3ccc(cc3)C(F)(F)F
CACTVS 3.385	CN1C(=O)c2ccccc2NC(=O)C1=Cc3ccc(cc3)C(F)(F)F

Name:

(3~{Z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione

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).