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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	CHEMBL2113004
Molecular formula	C34H46ClN5O4S
IUPAC name	N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1-cyclohexylazetidine-3-carboxamide
Molecular weight	656.283
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.8
Synonyms	BDBM50024300 LS-193316
Inchi Key	AKSYORBMAMSWCJ-SSEXGKCCSA-N
Inchi ID	InChI=1S/C34H46ClN5O4S/c1-45(43,44)40(22-26-11-12-26)32-10-6-5-9-31(32)37-17-19-38(20-18-37)34(42)30(21-25-13-15-28(35)16-14-25)36-33(41)27-23-39(24-27)29-7-3-2-4-8-29/h5-6,9-10,13-16,26-27,29-30H,2-4,7-8,11-12,17-24H2,1H3,(H,36,41)/t30-/m1/s1
PubChem CID	24848934
ChEMBL	CHEMBL2113004
IUPHAR	N/A
BindingDB	50024300
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
7872	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332

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