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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	CHEMBL3947322
Molecular formula	C29H32ClN3O2
IUPAC name	1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-phenylpropan-2-yl)piperidine-4-carboxamide
Molecular weight	490.044
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.1
Synonyms	US9428456, 2.017 BDBM243814
Inchi Key	BTXZRKDDICSGNN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H32ClN3O2/c1-29(2,24-8-4-3-5-9-24)32-28(35)23-15-17-33(18-16-23)20-21-7-6-10-26(19-21)31-27(34)22-11-13-25(30)14-12-22/h3-14,19,23H,15-18,20H2,1-2H3,(H,31,34)(H,32,35)
PubChem CID	129626137
ChEMBL	CHEMBL3947322
IUPHAR	N/A
BindingDB	243814
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	219.0 nM	, None	BindingDB,ChEMBL

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