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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	CHEMBL3904295
Molecular formula	C27H35N3O2
IUPAC name	1-[1-(3-benzamidophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight	433.596
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.6
Synonyms	BDBM243643 SCHEMBL18035160 US9428456, 1.165
Inchi Key	CBSDCXGDCKHMIJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H35N3O2/c1-20(23-11-8-14-25(19-23)29-26(31)21-9-4-2-5-10-21)30-17-15-22(16-18-30)27(32)28-24-12-6-3-7-13-24/h2,4-5,8-11,14,19-20,22,24H,3,6-7,12-13,15-18H2,1H3,(H,28,32)(H,29,31)
PubChem CID	122504790
ChEMBL	CHEMBL3904295
IUPHAR	N/A
BindingDB	243643
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	23.0 nM	, None	BindingDB,ChEMBL

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