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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	CHEMBL3924510
Molecular formula	C24H29F3N6O2
IUPAC name	N-[2-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]pyrimidin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight	490.531
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.0
Synonyms	BDBM243570 US9428456, 1.284
Inchi Key	BUEKMZAAXYBCJP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29F3N6O2/c25-24(26,27)19-8-4-7-18(30-19)23(35)32-20-9-12-28-21(31-20)15-33-13-10-16(11-14-33)22(34)29-17-5-2-1-3-6-17/h4,7-9,12,16-17H,1-3,5-6,10-11,13-15H2,(H,29,34)(H,28,31,32,35)
PubChem CID	129625991
ChEMBL	CHEMBL3924510
IUPHAR	N/A
BindingDB	243570
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	223.0 nM	, None	BindingDB,ChEMBL

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