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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	CHEMBL3984153
Molecular formula	C26H33ClN4O2
IUPAC name	4-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide
Molecular weight	469.026
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.5
Synonyms	BDBM243658 US9428456, 1.180
Inchi Key	DESFFPFSGVTKKX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H33ClN4O2/c1-18(31-14-11-19(12-15-31)25(32)29-22-7-3-2-4-8-22)20-6-5-9-23(16-20)30-26(33)24-17-21(27)10-13-28-24/h5-6,9-10,13,16-19,22H,2-4,7-8,11-12,14-15H2,1H3,(H,29,32)(H,30,33)
PubChem CID	129626056
ChEMBL	CHEMBL3984153
IUPHAR	N/A
BindingDB	243658
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	51.0 nM	, None	BindingDB,ChEMBL

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