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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	CHEMBL3917580
Molecular formula	C25H31ClN4O2
IUPAC name	1-[[5-[(4-chlorobenzoyl)amino]pyridin-3-yl]methyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight	454.999
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.7
Synonyms	BDBM243720 US9428456, 3.004
Inchi Key	AZFLPXGKNFDPPZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H31ClN4O2/c26-21-8-6-19(7-9-21)24(31)29-23-14-18(15-27-16-23)17-30-12-10-20(11-13-30)25(32)28-22-4-2-1-3-5-22/h6-9,14-16,20,22H,1-5,10-13,17H2,(H,28,32)(H,29,31)
PubChem CID	129626096
ChEMBL	CHEMBL3917580
IUPHAR	N/A
BindingDB	243720
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	36.0 nM	, None	BindingDB,ChEMBL

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