BioLiP

PDB

BioLiP

PDB CCD ID:

QBB

Number of entries in BioLiP:

Chemical formula:

C16 H15 F N2 O

InChI:

InChI=1S/C16H15FN2O/c17-14-4-1-12(2-5-14)16(20)19-15-6-3-11-7-8-18-10-13(11)9-15/h1-6,9,18H,7-8,10H2,(H,19,20)

InChIKey:

PGZJYUJKVGSJFI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc1ccc(cc1)C(=O)Nc2ccc3c(c2)CNCC3
OpenEye OEToolkits 1.7.6	c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F
CACTVS 3.385	Fc1ccc(cc1)C(=O)Nc2ccc3CCNCc3c2

Name:

4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

ChEMBL:

CHEMBL3355053

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).