BioLiP

PDB

BioLiP

PDB CCD ID:

5UU

Number of entries in BioLiP:

Chemical formula:

C19 H16 Cl F N2

InChI:

InChI=1S/C19H16ClFN2/c20-12-5-10-16-18(11-12)23-17-4-2-1-3-15(17)19(16)22-14-8-6-13(21)7-9-14/h5-11H,1-4H2,(H,22,23)

InChIKey:

VZSQQJDGFVKQSY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1
OpenEye OEToolkits 2.0.4	c1cc(ccc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)F

Name:

6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine

ZINC:

ZINC000004924408

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).