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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	CHEMBL401009
Molecular formula	C25H31F3N4O3
IUPAC name	N-[2-[[(2S)-3-[(2,4-dimethylphenyl)methylamino]-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight	492.543
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	3.4
Synonyms	BDBM50219902 SCHEMBL5112814 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(isopropylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
Inchi Key	BRRZJXMTXJQZFT-NRFANRHFSA-N
Inchi ID	InChI=1S/C25H31F3N4O3/c1-15(2)31-24(35)21(13-29-12-19-9-8-16(3)10-17(19)4)32-22(33)14-30-23(34)18-6-5-7-20(11-18)25(26,27)28/h5-11,15,21,29H,12-14H2,1-4H3,(H,30,34)(H,31,35)(H,32,33)/t21-/m0/s1
PubChem CID	10206776
ChEMBL	CHEMBL401009
IUPHAR	N/A
BindingDB	50219902
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
31293	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
31294	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374

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