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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	CHEMBL3968214
Molecular formula	C29H41N5O2
IUPAC name	N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(diethylamino)pyridine-3-carboxamide
Molecular weight	491.68
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.3
Synonyms	BDBM243740 US9428456, 1.071
Inchi Key	DHPLJYKFPLTVPI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H41N5O2/c1-3-34(4-2)27-14-13-24(20-30-27)29(36)32-26-12-8-9-22(19-26)21-33-17-15-23(16-18-33)28(35)31-25-10-6-5-7-11-25/h8-9,12-14,19-20,23,25H,3-7,10-11,15-18,21H2,1-2H3,(H,31,35)(H,32,36)
PubChem CID	129626106
ChEMBL	CHEMBL3968214
IUPHAR	N/A
BindingDB	243740
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	182.0 nM	, None	BindingDB,ChEMBL

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