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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	CHEMBL3915468
Molecular formula	C27H27ClF3N3O3
IUPAC name	1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]piperidine-4-carboxamide
Molecular weight	533.976
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM243831 US9428456, 2.034
Inchi Key	ADULQKNSCDPBOO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H27ClF3N3O3/c1-17-13-21(24(37-17)27(29,30)31)15-32-25(35)20-9-11-34(12-10-20)16-18-3-2-4-23(14-18)33-26(36)19-5-7-22(28)8-6-19/h2-8,13-14,20H,9-12,15-16H2,1H3,(H,32,35)(H,33,36)
PubChem CID	129626152
ChEMBL	CHEMBL3915468
IUPHAR	N/A
BindingDB	243831
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	533.0 nM	, None	BindingDB,ChEMBL

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