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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	CHEMBL3901696
Molecular formula	C24H30ClN3O2
IUPAC name	1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N,N-diethylpiperidine-4-carboxamide
Molecular weight	427.973
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BDBM243806 US9428456, 2.009
Inchi Key	AOCGNIQLFQCHQE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H30ClN3O2/c1-3-28(4-2)24(30)20-12-14-27(15-13-20)17-18-6-5-7-22(16-18)26-23(29)19-8-10-21(25)11-9-19/h5-11,16,20H,3-4,12-15,17H2,1-2H3,(H,26,29)
PubChem CID	129626129
ChEMBL	CHEMBL3901696
IUPHAR	N/A
BindingDB	243806
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	1.0 nM	, None	BindingDB,ChEMBL

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