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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	CHEMBL3935694
Molecular formula	C29H39N5O2
IUPAC name	N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
Molecular weight	489.664
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.0
Synonyms	US9428456, 1.084 BDBM243753 SCHEMBL17270282
Inchi Key	CXHNWHUJHRHNAJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H39N5O2/c35-28(31-24-8-2-1-3-9-24)23-13-17-33(18-14-23)21-22-7-6-10-25(19-22)32-29(36)27-12-11-26(20-30-27)34-15-4-5-16-34/h6-7,10-12,19-20,23-24H,1-5,8-9,13-18,21H2,(H,31,35)(H,32,36)
PubChem CID	72703022
ChEMBL	CHEMBL3935694
IUPHAR	N/A
BindingDB	243753
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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