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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.
Go to the GPCR page and check other ligands which interact with it.
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	CHEMBL2381337
Molecular formula	C21H29N3OS
IUPAC name	N-[2-[butyl(ethyl)amino]ethyl]-5-(2,3-dihydroindol-1-yl)thiophene-2-carboxamide
Molecular weight	371.543
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.9
Synonyms	MolPort-007-827-580 BDBM50434057 N-{2-[butyl(ethyl)amino]ethyl}-5-(2,3-dihydro-1H-indol-1-yl)thiophene-2-carboxamide CCG-179995 MCULE-3755374532 AKOS002001616 ZINC15732274 [ Show all ]
Inchi Key	CPFICEFOUWYGTN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H29N3OS/c1-3-5-14-23(4-2)16-13-22-21(25)19-10-11-20(26-19)24-15-12-17-8-6-7-9-18(17)24/h6-11H,3-5,12-16H2,1-2H3,(H,22,25)
PubChem CID	20940584
ChEMBL	CHEMBL2381337
IUPHAR	N/A
BindingDB	50434057
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3890.0 nM	PMID23656360	BindingDB,ChEMBL

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