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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	CHEMBL3936492
Molecular formula	C27H36N4O2
IUPAC name	N-[3-[[(2S,4S)-4-(cyclohexylcarbamoyl)-2-methylpiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
Molecular weight	448.611
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.9
Synonyms	BDBM243971 SCHEMBL17270223 US9428456, 2.104
Inchi Key	BZEQIQNKAMHJMU-UNMCSNQZSA-N
Inchi ID	InChI=1S/C27H36N4O2/c1-19-13-23(17-28-16-19)27(33)30-25-10-6-7-21(15-25)18-31-12-11-22(14-20(31)2)26(32)29-24-8-4-3-5-9-24/h6-7,10,13,15-17,20,22,24H,3-5,8-9,11-12,14,18H2,1-2H3,(H,29,32)(H,30,33)/t20-,22-/m0/s1
PubChem CID	118521923
ChEMBL	CHEMBL3936492
IUPHAR	N/A
BindingDB	243971
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	4.0 nM	, None	BindingDB,ChEMBL

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