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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	ethyl 6-(5-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Molecular formula	C22H23BrN6O4S
IUPAC name	ethyl 6-[5-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate
Molecular weight	547.428
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.0
Synonyms	MCULE-7574674407 SMR000314030 ethyl 6-[5-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate AC1O4R5O MLS000675308 CHEMBL1422131 ZINC17357073 HMS2688E23 AKOS001785134 MolPort-007-628-536 [ Show all ]
Inchi Key	AAKZCIHQRMMMAC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23BrN6O4S/c1-3-33-17(31)7-5-4-6-16(30)19-14(24-21(32)25-19)11-34-22-26-20-18(27-28-22)13-10-12(23)8-9-15(13)29(20)2/h8-10H,3-7,11H2,1-2H3,(H2,24,25,32)
PubChem CID	6411582
ChEMBL	CHEMBL1422131
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Potency	12264.8 nM	PubChem BioAssay data set	ChEMBL

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