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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	CHEMBL3912367
Molecular formula	C24H29ClFN3O2
IUPAC name	N-tert-butyl-1-[[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
Molecular weight	445.963
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.7
Synonyms	BDBM243852 US9428456, 2.097
Inchi Key	AUBOSVZOUKPBHH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29ClFN3O2/c1-24(2,3)28-23(31)18-9-10-29(15-18)14-16-5-4-6-20(11-16)27-22(30)12-17-7-8-19(26)13-21(17)25/h4-8,11,13,18H,9-10,12,14-15H2,1-3H3,(H,27,30)(H,28,31)
PubChem CID	129626165
ChEMBL	CHEMBL3912367
IUPHAR	N/A
BindingDB	243852
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	37.0 nM	, None	BindingDB,ChEMBL

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