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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL3944347
Molecular formula	C23H29ClN4O3
IUPAC name	N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-chloro-1-oxidopyridin-1-ium-2-carboxamide
Molecular weight	444.96
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.2
Synonyms	US9428456, 4.024 BDBM243978 SCHEMBL17270243
Inchi Key	BNNADQZTEDNFTR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29ClN4O3/c1-23(2,3)26-21(29)17-9-11-27(12-10-17)14-16-5-4-6-19(13-16)25-22(30)20-8-7-18(24)15-28(20)31/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,25,30)(H,26,29)
PubChem CID	118521937
ChEMBL	CHEMBL3944347
IUPHAR	N/A
BindingDB	243978
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	3.0 nM	, None	BindingDB,ChEMBL

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