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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	MLS001158116
Molecular formula	C20H21N5O6S
IUPAC name	3-[[(2,3-dioxo-1,4-dihydroquinoxaline-6-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
Molecular weight	459.477
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	0.8
Synonyms	MCULE-1360748138 883469-58-7 MolPort-005-978-007 CHEMBL1451892 ZINC13593092 AKOS002314296 SMR000652340 HMS2958G04 3-({2-[(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)carbonyl]hydrazinyl}carbonyl)-N,N-diethylbenzenesulfonamide MolPort-002-664-741 STK615279 [ Show all ]
Inchi Key	COLDEFWARIVPPS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N5O6S/c1-3-25(4-2)32(30,31)14-7-5-6-12(10-14)17(26)23-24-18(27)13-8-9-15-16(11-13)22-20(29)19(28)21-15/h5-11H,3-4H2,1-2H3,(H,21,28)(H,22,29)(H,23,26)(H,24,27)
PubChem CID	16457956
ChEMBL	CHEMBL1451892
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	6161.6 nM	PubChem BioAssay data set	ChEMBL
Potency	13794.0 nM	PubChem BioAssay data set	ChEMBL
Potency	17782.8 nM	PubChem BioAssay data set	ChEMBL

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