BioLiP

PDB

BioLiP

PDB CCD ID:

W14

Number of entries in BioLiP:

Chemical formula:

C11 H10 F3 N O2

InChI:

InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2

InChIKey:

OZASZYYBDFCSHO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	FC(F)(F)C(=O)N2Cc1c(ccc(O)c1)CC2
CACTVS 3.370	Oc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0	c1cc2c(cc1O)CN(CC2)C(=O)C(F)(F)F

Name:

2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

ChEMBL:

CHEMBL1615275

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).