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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	A-86929
Molecular formula	C18H21NO2S
IUPAC name	(1S,10R)-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	(5aR,11bS)-4,5,5a,6,7,11b-Hexahydro-2-propylbenzo(f)thieno(2,3-C)quinoline-9,10-diol Di-deacetyl adrogolide UNII-S3ZIH99X6E 171961-95-8 S3ZIH99X6E (5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol CHEMBL28338 2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol SCHEMBL7006242 BDBM50033114 [ Show all ]
Inchi Key	REHAKLRYABHSQJ-KDOFPFPSSA-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+/m1/s1
PubChem CID	9841398
ChEMBL	CHEMBL28338
IUPHAR	N/A
BindingDB	50033114
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
294099	D(1) dopamine receptor	P35406		Carassius auratus (Goldfish)	363
294097	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
294098	D(1A) dopamine receptor	P18901	Drd1	Rattus norvegicus (Rat)	446
294095	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
294096	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444

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