BioLiP

PDB

BioLiP

PDB CCD ID:

7Q0

Number of entries in BioLiP:

Chemical formula:

C19 H15 F N2 O

InChI:

InChI=1S/C19H15FN2O/c20-14-8-6-12(7-9-14)19(23)22-18-15-3-1-2-11-4-5-13(17(11)15)10-16(18)21/h1-3,6-10H,4-5,21H2,(H,22,23)

InChIKey:

XFOBJVGGSATXHM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cc2CCc3cccc(c1NC(=O)c4ccc(F)cc4)c23
OpenEye OEToolkits 2.0.7	c1cc2c3c(c1)c(c(cc3CC2)N)NC(=O)c4ccc(cc4)F

Name:

N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide

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).