BioLiP

PDB

BioLiP

PDB CCD ID:

SRQ

Number of entries in BioLiP:

Chemical formula:

C14 H15 F2 N O3

InChI:

InChI=1S/C14H15F2NO3/c15-12(16)9-20-14(19)6-5-13(18)17-8-7-10-3-1-2-4-11(10)17/h1-4,12H,5-9H2

InChIKey:

ZBGADGOMZKMKIY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F
CACTVS 3.385	FC(F)COC(=O)CCC(=O)N1CCc2ccccc12

Name:

2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate

ChEMBL:

CHEMBL5072324

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).