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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	SCHEMBL4054703
Molecular formula	C22H29N5
IUPAC name	4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-9-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
Molecular weight	363.509
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.7
Synonyms	CHEMBL1082549
Inchi Key	KMYVBYYBQAUEAL-HHBDYARMSA-N
Inchi ID	InChI=1S/C22H29N5/c23-22-25-20-17(15-7-2-1-3-8-15)10-4-5-11-18(20)21(26-22)27-13-16-9-6-12-24-19(16)14-27/h1-3,7-8,16-17,19,24H,4-6,9-14H2,(H2,23,25,26)/t16-,17?,19+/m1/s1
PubChem CID	44462955
ChEMBL	CHEMBL1082549
IUPHAR	N/A
BindingDB	N/A
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
173138	Histamine H4 receptor	Q91ZY2	Hrh4	Mus musculus (Mouse)	391
173139	Histamine H4 receptor	Q9H3N8	HRH4	Homo sapiens (Human)	390
173140	Histamine H4 receptor	Q91ZY1	Hrh4	Rattus norvegicus (Rat)	391

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