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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	CHEMBL3913386
Molecular formula	C25H30Cl2N4O2
IUPAC name	2,6-dichloro-N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
Molecular weight	489.441
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.0
Synonyms	BDBM243760 US9428456, 1.091
Inchi Key	BZELVAFJYPDJDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30Cl2N4O2/c26-22-10-9-21(23(27)30-22)25(33)29-20-8-4-5-17(15-20)16-31-13-11-18(12-14-31)24(32)28-19-6-2-1-3-7-19/h4-5,8-10,15,18-19H,1-3,6-7,11-14,16H2,(H,28,32)(H,29,33)
PubChem CID	129626114
ChEMBL	CHEMBL3913386
IUPHAR	N/A
BindingDB	243760
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	12.0 nM	, None	BindingDB,ChEMBL

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