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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL3957872
Molecular formula	C24H28BrF3N4O2
IUPAC name	N-[3-bromo-5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight	541.413
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.2
Synonyms	BDBM243565 US9428456, 1.279
Inchi Key	AQJBYKGEYOOGIV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28BrF3N4O2/c1-23(2,3)31-21(33)16-7-9-32(10-8-16)14-15-11-17(25)13-18(12-15)29-22(34)19-5-4-6-20(30-19)24(26,27)28/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,29,34)(H,31,33)
PubChem CID	129625988
ChEMBL	CHEMBL3957872
IUPHAR	N/A
BindingDB	243565
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	420.0 nM	, None	BindingDB,ChEMBL

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