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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	CHEMBL3986916
Molecular formula	C25H34N4O2
IUPAC name	N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methylphenyl]-5-methylpyridine-3-carboxamide
Molecular weight	422.573
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.0
Synonyms	BDBM243693 US9428456, 1.314
Inchi Key	CVCMYTRXKNWVFQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H34N4O2/c1-17-13-21(15-26-14-17)23(30)27-22-8-6-7-20(18(22)2)16-29-11-9-19(10-12-29)24(31)28-25(3,4)5/h6-8,13-15,19H,9-12,16H2,1-5H3,(H,27,30)(H,28,31)
PubChem CID	129626080
ChEMBL	CHEMBL3986916
IUPHAR	N/A
BindingDB	243693
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	145.0 nM	, None	BindingDB,ChEMBL

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