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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	CHEMBL3905756
Molecular formula	C23H33N3O2
IUPAC name	N-cyclohexyl-1-[[3-(cyclopropanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide
Molecular weight	383.536
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	BDBM243534 US9428456, 1.149
Inchi Key	ANAKEUROGJMVBU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H33N3O2/c27-22(18-9-10-18)25-21-8-4-5-17(15-21)16-26-13-11-19(12-14-26)23(28)24-20-6-2-1-3-7-20/h4-5,8,15,18-20H,1-3,6-7,9-14,16H2,(H,24,28)(H,25,27)
PubChem CID	129625972
ChEMBL	CHEMBL3905756
IUPHAR	N/A
BindingDB	243534
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	81.0 nM	, None	BindingDB,ChEMBL

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