BioLiP

PDB

BioLiP

PDB CCD ID:

RCU

Number of entries in BioLiP:

Chemical formula:

C15 H15 Cl F3 N O3

InChI:

InChI=1S/C15H15ClF3NO3/c1-2-23-13(22)6-5-12(21)20-8-7-9-11(20)4-3-10(16)14(9)15(17,18)19/h3-4H,2,5-8H2,1H3

InChIKey:

RYLCYWNNCGQOCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CCOC(=O)CCC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl
CACTVS 3.385	CCOC(=O)CCC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F

Name:

ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-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).