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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	N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide
Molecular formula	C21H22N4O4S
IUPAC name	N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide
Molecular weight	426.491
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.0
Synonyms	AO-548/43196930 MCULE-5054987675 NCGC00100917-01 CBKinase1_001980 N-(4-{[(4,6-dimethylpyrimidin-2-yl)amino]sulfonyl}phenyl)(2-ethoxyphenyl)carbo xamide ZINC1017207 AC1LO7K3 CHEMBL1512389 BAS 04381947 MolPort-001-528-741 ST50275287 CBKinase1_014380 N-(4-{[(4,6-dimethylpyrimidin-2-yl)amino]sulfonyl}phenyl)-2-ethoxybenzamide AKOS000713131 HMS1803E02 N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-ethoxybenzamide BRD-K75716259-001-01-2 N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-ethoxybenzamide STK246740 N-[4-(4,6-Dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-2-ethoxy-benzamide [ Show all ]
Inchi Key	AAAQITMOTRAMTE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22N4O4S/c1-4-29-19-8-6-5-7-18(19)20(26)24-16-9-11-17(12-10-16)30(27,28)25-21-22-14(2)13-15(3)23-21/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
PubChem CID	1234706
ChEMBL	CHEMBL1512389
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	28183.8 nM	PubChem BioAssay data set	ChEMBL

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