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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL3917109
Molecular formula	C25H32N4O2
IUPAC name	N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
Molecular weight	420.557
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.1
Synonyms	BWDCZCZCLMZHCR-UHFFFAOYSA-N N-[3-(4-Cyclohexylcarbamoyl-piperidin-1-ylmethyl)-phenyl]-nicotinamide US9428456, 1.003 BDBM243484
Inchi Key	BWDCZCZCLMZHCR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H32N4O2/c30-24(27-22-8-2-1-3-9-22)20-11-14-29(15-12-20)18-19-6-4-10-23(16-19)28-25(31)21-7-5-13-26-17-21/h4-7,10,13,16-17,20,22H,1-3,8-9,11-12,14-15,18H2,(H,27,30)(H,28,31)
PubChem CID	129625936
ChEMBL	CHEMBL3917109
IUPHAR	N/A
BindingDB	243484
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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