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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	CHEMBL3951108
Molecular formula	C26H35N5O2
IUPAC name	N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]-5-methylpyrazine-2-carboxamide
Molecular weight	449.599
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.2
Synonyms	US9428456, 1.185 BDBM243663 SCHEMBL17270168
Inchi Key	AFPRTCLJDCXSLL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H35N5O2/c1-18-16-28-24(17-27-18)26(33)30-23-10-6-7-21(15-23)19(2)31-13-11-20(12-14-31)25(32)29-22-8-4-3-5-9-22/h6-7,10,15-17,19-20,22H,3-5,8-9,11-14H2,1-2H3,(H,29,32)(H,30,33)
PubChem CID	118521876
ChEMBL	CHEMBL3951108
IUPHAR	N/A
BindingDB	243663
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	15.0 nM	, None	BindingDB,ChEMBL

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