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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	CHEMBL3983113
Molecular formula	C28H34N4O2
IUPAC name	N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1H-indole-3-carboxamide
Molecular weight	458.606
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	4.3
Synonyms	US9428456, 1.027 BDBM243508 SCHEMBL17270185
Inchi Key	CONQIUXVPYTREV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H34N4O2/c33-27(30-22-8-2-1-3-9-22)21-13-15-32(16-14-21)19-20-7-6-10-23(17-20)31-28(34)25-18-29-26-12-5-4-11-24(25)26/h4-7,10-12,17-18,21-22,29H,1-3,8-9,13-16,19H2,(H,30,33)(H,31,34)
PubChem CID	118521892
ChEMBL	CHEMBL3983113
IUPHAR	N/A
BindingDB	243508
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	42.0 nM	, None	BindingDB,ChEMBL

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