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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	CHEMBL188651
Molecular formula	C29H39Cl2N5O3S
IUPAC name	3-amino-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexyl]piperazin-1-yl]propan-2-yl]propanamide
Molecular weight	608.623
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.4
Synonyms	BDBM50168642 3-Amino-N-[(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-(4-{1-[(2-thiophen-2-yl-acetylamino)-methyl]-cyclohexyl}-piperazin-1-yl)-ethyl]-propionamide
Inchi Key	AWDCZSOETVHKLV-RUZDIDTESA-N
Inchi ID	InChI=1S/C29H39Cl2N5O3S/c30-22-7-6-21(24(31)18-22)17-25(34-26(37)8-11-32)28(39)35-12-14-36(15-13-35)29(9-2-1-3-10-29)20-33-27(38)19-23-5-4-16-40-23/h4-7,16,18,25H,1-3,8-15,17,19-20,32H2,(H,33,38)(H,34,37)/t25-/m1/s1
PubChem CID	44397030
ChEMBL	CHEMBL188651
IUPHAR	N/A
BindingDB	50168642
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
15897	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
15898	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
15895	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
15896	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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