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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	CHEMBL3972023
Molecular formula	C28H37N3O2
IUPAC name	N-cyclohexyl-1-[[3-(3-phenylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide
Molecular weight	447.623
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.4
Synonyms	BDBM243609 US9428456, 1.034
Inchi Key	CIJSUDVKQRGPCF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H37N3O2/c32-27(15-14-22-8-3-1-4-9-22)29-26-13-7-10-23(20-26)21-31-18-16-24(17-19-31)28(33)30-25-11-5-2-6-12-25/h1,3-4,7-10,13,20,24-25H,2,5-6,11-12,14-19,21H2,(H,29,32)(H,30,33)
PubChem CID	129626019
ChEMBL	CHEMBL3972023
IUPHAR	N/A
BindingDB	243609
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	18.0 nM	, None	BindingDB,ChEMBL

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