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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	UNII-Q598HK01AO
Molecular formula	C17H21N5
IUPAC name	6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
Molecular weight	295.39
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.1
Synonyms	1027330-97-7 4-((R)-3-Amino-pyrrolidin-1-yl)-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-2-ylamine MolPort-035-936-414 A-943931 SCHEMBL602812 2,4-diamino-5,6-disubstituted pyrimidine, 10 CHEMBL502347 ZINC40977166 5H-Benzo(6,7)cyclohepta(1,2-d)pyrimidin-2-amine, 4-((3R)-3-amino-1-pyrrolidinyl)-6,7-dihydro- NCGC00370827-02 BDBM26396 SDTRYHWIXVHTLM-GFCCVEGCSA-N D0P8DW 6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine Q598HK01AO [ Show all ]
Inchi Key	SDTRYHWIXVHTLM-GFCCVEGCSA-N
Inchi ID	InChI=1S/C17H21N5/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21)/t12-/m1/s1
PubChem CID	25068753
ChEMBL	CHEMBL502347
IUPHAR	N/A
BindingDB	26396
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
311759	Histamine H4 receptor	Q9H3N8	HRH4	Homo sapiens (Human)	390
311760	Histamine H4 receptor	Q91ZY1	Hrh4	Rattus norvegicus (Rat)	391
311761	Histamine H4 receptor	Q91ZY2	Hrh4	Mus musculus (Mouse)	391

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