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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	CHEMBL3911168
Molecular formula	C28H37N3O2
IUPAC name	N-cyclohexyl-1-[[3-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
Molecular weight	447.623
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM243875 US9428456, 1.113
Inchi Key	AWCKOLODWWIGES-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H37N3O2/c1-20-11-12-24(17-21(20)2)28(33)30-26-10-6-7-22(18-26)19-31-15-13-23(14-16-31)27(32)29-25-8-4-3-5-9-25/h6-7,10-12,17-18,23,25H,3-5,8-9,13-16,19H2,1-2H3,(H,29,32)(H,30,33)
PubChem CID	72705982
ChEMBL	CHEMBL3911168
IUPHAR	N/A
BindingDB	243875
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	7.0 nM	, None	BindingDB,ChEMBL

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