BioLiP

PDB

BioLiP

PDB CCD ID:

V2F

Number of entries in BioLiP:

Chemical formula:

C15 H10 Cl2 F3 N3 O3

InChI:

InChI=1S/C15H10Cl2F3N3O3/c16-7-3-8(17)5-9(4-7)22-14(25)23-12-6-10(26-15(18,19)20)1-2-11(12)13(21)24/h1-6H,(H2,21,24)(H2,22,23,25)

InChIKey:

OOVNLFNTPKRWNU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N
CACTVS 3.385	NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2

Name:

2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide;
2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide

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).