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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	CHEMBL3975469
Molecular formula	C26H34ClN3O2
IUPAC name	N-tert-butyl-1-[[3-[2-(4-chlorophenyl)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
Molecular weight	456.027
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.5
Synonyms	BDBM243691 SCHEMBL18035156 US9428456, 1.312
Inchi Key	CHZWBIMIJNARHT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H34ClN3O2/c1-18(20-8-10-22(27)11-9-20)24(31)28-23-7-5-6-19(16-23)17-30-14-12-21(13-15-30)25(32)29-26(2,3)4/h5-11,16,18,21H,12-15,17H2,1-4H3,(H,28,31)(H,29,32)
PubChem CID	122504786
ChEMBL	CHEMBL3975469
IUPHAR	N/A
BindingDB	243691
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	8.0 nM	, None	BindingDB,ChEMBL

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