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GLASS

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GPCR

Name	Relaxin receptor 1
Species	Homo sapiens (Human)
Gene	RXFP1
Synonym	Relaxin family peptide receptor 1 RX1 relaxin/insulin like family peptide receptor 1 relaxin receptor 1 RXFPR1 LGR7 leucine-rich repeat-containing G-protein-coupled receptor 7 Leucine-rich repeat-containing G-protein coupled receptor 7 RXFP1 [ Show all ]
Disease	Acute heart failure
Length	757
Amino acid sequence	MTSGSVFFYILIFGKYFSHGGGQDVKCSLGYFPCGNITKCLPQLLHCNGVDDCGNQADEDNCGDNNGWSLQFDKYFASYYKMTSQYPFEAETPECLVGSVPVQCLCQGLELDCDETNLRAVPSVSSNVTAMSLQWNLIRKLPPDCFKNYHDLQKLYLQNNKITSISIYAFRGLNSLTKLYLSHNRITFLKPGVFEDLHRLEWLIIEDNHLSRISPPTFYGLNSLILLVLMNNVLTRLPDKPLCQHMPRLHWLDLEGNHIHNLRNLTFISCSNLTVLVMRKNKINHLNENTFAPLQKLDELDLGSNKIENLPPLIFKDLKELSQLNLSYNPIQKIQANQFDYLVKLKSLSLEGIEISNIQQRMFRPLMNLSHIYFKKFQYCGYAPHVRSCKPNTDGISSLENLLASIIQRVFVWVVSAVTCFGNIFVICMRPYIRSENKLYAMSIISLCCADCLMGIYLFVIGGFDLKFRGEYNKHAQLWMESTHCQLVGSLAILSTEVSVLLLTFLTLEKYICIVYPFRCVRPGKCRTITVLILIWITGFIVAFIPLSNKEFFKNYYGTNGVCFPLHSEDTESIGAQIYSVAIFLGINLAAFIIIVFSYGSMFYSVHQSAITATEIRNQVKKEMILAKRFFFIVFTDALCWIPIFVVKFLSLLQVEIPGTITSWVVIFILPINSALNPILYTLTTRPFKEMIHRFWYNYRQRKSMDSKGQKTYAPSFIWVEMWPLQEMPPELMKPDLFTYPCEMSLISQSTRLNSYS
UniProt	Q9HBX9
Protein Data Bank	2jm4
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 2jm4.
BioLiP	BL0101296
Therapeutic Target Database	T73696
ChEMBL	CHEMBL1293316
IUPHAR	351
DrugBank	N/A

Ligand

Name	MLS000936863
Molecular formula	C19H19N5O3S
IUPAC name	N-(2-methoxyphenyl)-4-(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)butanamide
Molecular weight	397.453
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.0
Synonyms	NCGC00104782-01 HMS2909E06 AKOS001765441 MolPort-007-596-506 CHEMBL1388847 SMR000621444 MCULE-5082106468 C200-2889 N-(2-methoxyphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide HMS1814N02 ZINC6817071 [ Show all ]
Inchi Key	BAOOGMVJKNQYEM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19N5O3S/c1-23-18(26)17-13(10-11-28-17)24-15(21-22-19(23)24)8-5-9-16(25)20-12-6-3-4-7-14(12)27-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,25)
PubChem CID	15988012
ChEMBL	CHEMBL1388847
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	4466.8 nM	PubChem BioAssay data set	ChEMBL
Potency	12589.3 nM	PubChem BioAssay data set	ChEMBL
Potency	15440.5 nM	PubChem BioAssay data set	ChEMBL
Potency	17324.5 nM	PubChem BioAssay data set	ChEMBL

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