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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	CHEMBL246416
Molecular formula	C26H33F3N4O4
IUPAC name	N-[2-[[(2S)-1-(tert-butylamino)-3-[(2,4-dimethylphenyl)methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
Molecular weight	522.569
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	3.9
Synonyms	SCHEMBL5120145 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethoxy)benzamide BDBM50219903
Inchi Key	CIRPPSNKYVUJNF-NRFANRHFSA-N
Inchi ID	InChI=1S/C26H33F3N4O4/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)37-26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1
PubChem CID	10165042
ChEMBL	CHEMBL246416
IUPHAR	N/A
BindingDB	50219903
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
42921	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
42922	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374

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