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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Atypical chemokine receptor 3
Species	Homo sapiens (Human)
Gene	ACKR3
Synonym	RDC-1 GPR159 G-protein coupled receptor RDC1 homolog G-protein coupled receptor 159 Cxcr7 CXCR-7 CXC-R7 chemokine orphan receptor 1 chemokine (C-X-C motif) receptor 7 C-X-C chemokine receptor type 7 ACKR3 [ Show all ]
Disease	Cancer Asthma
Length	362
Amino acid sequence	MDLHLFDYSEPGNFSDISWPCNSSDCIVVDTVMCPNMPNKSVLLYTLSFIYIFIFVIGMIANSVVVWVNIQAKTTGYDTHCYILNLAIADLWVVLTIPVWVVSLVQHNQWPMGELTCKVTHLIFSINLFGSIFFLTCMSVDRYLSITYFTNTPSSRKKMVRRVVCILVWLLAFCVSLPDTYYLKTVTSASNNETYCRSFYPEHSIKEWLIGMELVSVVLGFAVPFSIIAVFYFLLARAISASSDQEKHSSRKIIFSYVVVFLVCWLPYHVAVLLDIFSILHYIPFTCRLEHALFTALHVTQCLSLVHCCVNPVLYSFINRNYRYELMKAFIFKYSAKTGLTKLIDASRVSETEYSALEQSTK
UniProt	P25106
Protein Data Bank	N/A
GPCR-HGmod model	P25106
3D structure model	This predicted structure model is from GPCR-EXP P25106.
BioLiP	N/A
Therapeutic Target Database	T10491
ChEMBL	CHEMBL2010631
IUPHAR	80
DrugBank	N/A

Ligand

Name	CHEMBL3978234
Molecular formula	C25H31F3N4O2
IUPAC name	N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight	476.544
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.9
Synonyms	US9428456, 1.301 BDBM243680 SCHEMBL17270180
Inchi Key	CATVBXAOUQSPII-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H31F3N4O2/c1-16-8-9-17(15-32-12-10-18(11-13-32)22(33)31-24(2,3)4)14-20(16)30-23(34)19-6-5-7-21(29-19)25(26,27)28/h5-9,14,18H,10-13,15H2,1-4H3,(H,30,34)(H,31,33)
PubChem CID	118521888
ChEMBL	CHEMBL3978234
IUPHAR	N/A
BindingDB	243680
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	2.0 nM	, None	BindingDB,ChEMBL

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