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GLASS

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GPCR

Name	Relaxin receptor 2
Species	Homo sapiens (Human)
Gene	RXFP2
Synonym	RXFPR2 RXFP2 relaxin/insulin like family peptide receptor 2 relaxin receptor 2 Relaxin family peptide receptor 2 LGR8 Leucine-rich repeat-containing G-protein coupled receptor 8 leucine-rich repeat-containing G protein-coupled receptor 8 INSL3 receptor GPR106 G-protein coupled receptor affecting testicular descent G-protein coupled receptor 106 [ Show all ]
Disease	N/A
Length	754
Amino acid sequence	MIVFLVFKHLFSLRLITMFFLLHFIVLINVKDFALTQGSMITPSCQKGYFPCGNLTKCLPRAFHCDGKDDCGNGADEENCGDTSGWATIFGTVHGNANSVALTQECFLKQYPQCCDCKETELECVNGDLKSVPMISNNVTLLSLKKNKIHSLPDKVFIKYTKLKKIFLQHNCIRHISRKAFFGLCNLQILYLNHNCITTLRPGIFKDLHQLTWLILDDNPITRISQRLFTGLNSLFFLSMVNNYLEALPKQMCAQMPQLNWVDLEGNRIKYLTNSTFLSCDSLTVLFLPRNQIGFVPEKTFSSLKNLGELDLSSNTITELSPHLFKDLKLLQKLNLSSNPLMYLHKNQFESLKQLQSLDLERIEIPNINTRMFQPMKNLSHIYFKNFRYCSYAPHVRICMPLTDGISSFEDLLANNILRIFVWVIAFITCFGNLFVIGMRSFIKAENTTHAMSIKILCCADCLMGVYLFFVGIFDIKYRGQYQKYALLWMESVQCRLMGFLAMLSTEVSVLLLTYLTLEKFLVIVFPFSNIRPGKRQTSVILICIWMAGFLIAVIPFWNKDYFGNFYGKNGVCFPLYYDQTEDIGSKGYSLGIFLGVNLLAFLIIVFSYITMFCSIQKTALQTTEVRNCFGREVAVANRFFFIVFSDAICWIPVFVVKILSLFRVEIPDTMTSWIVIFFLPVNSALNPILYTLTTNFFKDKLKQLLHKHQRKSIFKIKKKSLSTSIVWIEDSSSLKLGVLNKITLGDSIMKPVS
UniProt	Q8WXD0
Protein Data Bank	2m96
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 2m96.
BioLiP	BL0278456
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1628482
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MLS001095782
Molecular formula	C22H25ClN6O3
IUPAC name	N-[(2-chlorophenyl)methyl]-3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Molecular weight	456.931
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.8
Synonyms	HMS2958G20 MolPort-007-853-221 ZINC9744900 MCULE-8928863070 AB00850268-06 N-(2-chlorobenzyl)-3-[6-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide CHEMBL1539515 AKOS002031191 SMR000631418 [ Show all ]
Inchi Key	AUNUOERGMPQPBP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25ClN6O3/c23-17-4-2-1-3-16(17)15-24-21(30)8-7-19-26-25-18-5-6-20(27-29(18)19)28-11-9-22(10-12-28)31-13-14-32-22/h1-6H,7-15H2,(H,24,30)
PubChem CID	20957177
ChEMBL	CHEMBL1539515
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	43620.6 nM	PubChem BioAssay data set	ChEMBL

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