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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	MLS000078398
Molecular formula	C22H20FN5O2
IUPAC name	4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole
Molecular weight	405.433
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.4
Synonyms	NCGC00020557-02 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole HMS2177E16 ZINC2262469 AKOS005468492 MolPort-002-564-915 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8-fluoro-5H-pyrimido[5,4-b]indole CHEMBL1304582 SMR000040683 8-fluoro-4-(4-piperonylpiperazino)-5H-pyrimid[5,4-b]indole MCULE-3250342752 BDBM36900 NCGC00020557-01 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-fluoranyl-5H-pyrimido[5,4-b]indole cid_659623 STK537916 AC1LD1AG [ Show all ]
Inchi Key	HBVIUQRSDMYKQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20FN5O2/c23-15-2-3-17-16(10-15)20-21(26-17)22(25-12-24-20)28-7-5-27(6-8-28)11-14-1-4-18-19(9-14)30-13-29-18/h1-4,9-10,12,26H,5-8,11,13H2
PubChem CID	659623
ChEMBL	CHEMBL1304582
IUPHAR	N/A
BindingDB	36900
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
110939	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
110943	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
110940	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
476577	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
110938	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
110941	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
110942	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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