BioLiP

PDB

BioLiP

PDB CCD ID:

RD9

Number of entries in BioLiP:

Chemical formula:

C14 H14 F3 N O3

InChI:

InChI=1S/C14H14F3NO3/c1-21-13(20)6-5-12(19)18-8-7-9-10(14(15,16)17)3-2-4-11(9)18/h2-4H,5-8H2,1H3

InChIKey:

ZCVAYWXZXDNCFC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F

Name:

methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate

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).