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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	CHEMBL3985336
Molecular formula	C27H34ClN3O2
IUPAC name	1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight	468.038
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.7
Synonyms	BDBM243506 US9428456, 1.025
Inchi Key	ASSGWVBTWBZKGL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H34ClN3O2/c28-25-12-5-4-8-22(25)18-26(32)29-24-11-6-7-20(17-24)19-31-15-13-21(14-16-31)27(33)30-23-9-2-1-3-10-23/h4-8,11-12,17,21,23H,1-3,9-10,13-16,18-19H2,(H,29,32)(H,30,33)
PubChem CID	129625953
ChEMBL	CHEMBL3985336
IUPHAR	N/A
BindingDB	243506
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	3.0 nM	, None	BindingDB,ChEMBL

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