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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	CHEMBL544814
Molecular formula	C18H21NO2S
IUPAC name	(1R,10S)-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol
Molecular weight	315.431
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	3.4
Synonyms	CHEMBL39230 (5aS,11bR)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol; hydrochloride BDBM50033115 SCHEMBL7006239 2-Propyl-4,5,5aalpha,6,7,11bbeta-hexahydro-3-thia-5-aza-3H-cyclopenta[c]phenanthrene-9,10-diol
Inchi Key	REHAKLRYABHSQJ-KBXCAEBGSA-N
Inchi ID	InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m0/s1
PubChem CID	9796958
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50033115
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
294093	D(1) dopamine receptor	P35406		Carassius auratus (Goldfish)	363
294090	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
294091	D(1A) dopamine receptor	P18901	Drd1	Rattus norvegicus (Rat)	446
294092	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
294094	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444

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