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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	CHEMBL206831
Molecular formula	C28H31F4N5O
IUPAC name	1-[(1S,2R,5S)-5-(4-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-piperazin-1-ylpropyl)urea
Molecular weight	529.584
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.3
Synonyms	BDBM50184936 N-[trans-5-(4-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N''-[4-fluoro-3-(trifluoromethyl)phenyl)-N-[3-(1-piperazinyl)propyl]urea
Inchi Key	DQAUVQWGUDFZKV-DFZDUAMZSA-N
Inchi ID	InChI=1S/C28H31F4N5O/c29-24-7-6-21(16-22(24)28(30,31)32)35-26(38)37(13-1-12-36-14-10-34-11-15-36)25-8-9-27(17-23(25)27)20-4-2-19(18-33)3-5-20/h2-7,16,23,25,34H,1,8-15,17H2,(H,35,38)/t23-,25-,27-/m1/s1
PubChem CID	11533835
ChEMBL	CHEMBL206831
IUPHAR	N/A
BindingDB	50184936
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
66105	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
66106	Melanin-concentrating hormone receptor 1	Q8JZL2	Mchr1	Mus musculus (Mouse)	353

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