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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	CHEMBL3902012
Molecular formula	C29H34N4O2
IUPAC name	N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]isoquinoline-1-carboxamide
Molecular weight	470.617
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.7
Synonyms	BDBM243502 SCHEMBL17270290 US9428456, 1.021
Inchi Key	CVJYDGBXGCEMDX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H34N4O2/c34-28(31-24-9-2-1-3-10-24)23-14-17-33(18-15-23)20-21-7-6-11-25(19-21)32-29(35)27-26-12-5-4-8-22(26)13-16-30-27/h4-8,11-13,16,19,23-24H,1-3,9-10,14-15,17-18,20H2,(H,31,34)(H,32,35)
PubChem CID	72703021
ChEMBL	CHEMBL3902012
IUPHAR	N/A
BindingDB	243502
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	39.0 nM	, None	BindingDB,ChEMBL

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