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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	CHEMBL3975274
Molecular formula	C24H29FN4O2
IUPAC name	N-[3-[[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
Molecular weight	424.52
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.4
Synonyms	BDBM243940 US9428456, 2.053
Inchi Key	BLYLYYYSFJHHDJ-NRFANRHFSA-N
Inchi ID	InChI=1S/C24H29FN4O2/c1-17-11-20(14-26-13-17)23(30)27-22-4-2-3-18(12-22)15-28-8-5-19(6-9-28)24(31)29-10-7-21(25)16-29/h2-4,11-14,19,21H,5-10,15-16H2,1H3,(H,27,30)/t21-/m0/s1
PubChem CID	129626228
ChEMBL	CHEMBL3975274
IUPHAR	N/A
BindingDB	243940
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	195.0 nM	, None	BindingDB,ChEMBL

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