BioLiP

PDB

BioLiP

PDB CCD ID:

WZ6

Number of entries in BioLiP:

Chemical formula:

C27 H31 F3 N2 O4

InChI:

InChI=1S/C27H31F3N2O4/c1-6-35-11-12-36-22-15-18-17(25(2,3)9-10-26(18,4)5)14-21(22)32-20-8-7-16(23(33)34)13-19(20)31-24(32)27(28,29)30/h7-8,13-15H,6,9-12H2,1-5H3,(H,33,34)

InChIKey:

FKCNXNPZSKIRIX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(O)=O)C(C)(C)CCC2(C)C
OpenEye OEToolkits 2.0.7	CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(=O)O)C(CCC2(C)C)(C)C

Name:

1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

ChEMBL:

CHEMBL4777069

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).