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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	CHEMBL3581270
Molecular formula	C39H51N11O6
IUPAC name	2-[3-[(3S,6S,9S,12S,15S)-6-[3-(diaminomethylideneamino)propyl]-12-[(4-hydroxyphenyl)methyl]-3-(naphthalen-2-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-9-yl]propyl]guanidine
Molecular weight	769.908
Hydrogen bond acceptor	8
Hydrogen bond donor	9
XlogP	0.7
Synonyms	BDBM50092212 Cyclo(L-Tyr-L-Arg-L-Arg-L-betaNal-L-Pro-)
Inchi Key	AVNDVFCGYOONJV-XDIGFQIYSA-N
Inchi ID	InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(22-24-11-14-25-6-1-2-7-26(25)20-24)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)21-23-12-15-27(51)16-13-23/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30-,31-,32-/m0/s1
PubChem CID	122178718
ChEMBL	CHEMBL3581270
IUPHAR	N/A
BindingDB	50092212
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<30000.0 nM	PMID26042340	BindingDB,ChEMBL

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