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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	WIN-51708
Molecular formula	C29H33N3O
IUPAC name	(3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.021,26]octacosa-1(28),17,19,21,23,25-hexaen-8-ol
Molecular weight	439.603
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.5
Synonyms	CHEMBL2206331 ZINC13448389 NCGC00485262-01 WIN51,708 D05PSD (3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{7,11}.0^{19,27}.0^{21,26}]octacosa-1(28),17,19,21,23,25-hexaen-8-ol WIN 51,708 win51708 GTPL339 144177-30-0 [ Show all ]
Inchi Key	AIIXYCDTEGICEE-HZVAOYAWSA-N
Inchi ID	InChI=1S/C29H33N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,17,19-22,33H,9-16H2,2-3H3/t19-,20+,21-,22-,27-,28-,29-/m0/s1
PubChem CID	9803245
ChEMBL	CHEMBL2206331
IUPHAR	339
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
6249	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
553274	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
553275	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
553273	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479

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