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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 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	2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-morpholinoethyl)acetamide
Molecular formula	C20H21N3O4
IUPAC name	2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
Molecular weight	367.405
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.2
Synonyms	2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-morpholin-4-ylethyl)acetamide BIM-0027336.P001 MCULE-8812550287 ZINC19757674 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide SMR000286469 AKOS000805915 F0223-0043 ST50507426 CBMicro_027498 MLS000856024 325851-02-3 CHEMBL1408014 SR-01000505199 BAS 00791809 HMS2685O12 STK806590 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-[2-(morpholin-4-yl)ethyl]acetamide CCG-113587 MolPort-000-691-592 AC1MEQSG EU-0080329 SR-01000505199-1 [ Show all ]
Inchi Key	ABZVMHMVMBBBNX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N3O4/c24-17(21-7-8-22-9-11-27-12-10-22)13-23-19(25)15-5-1-3-14-4-2-6-16(18(14)15)20(23)26/h1-6H,7-13H2,(H,21,24)
PubChem CID	2859630
ChEMBL	CHEMBL1408014
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	14125.4 nM	PubChem BioAssay data set	ChEMBL
Potency	19438.4 nM	PubChem BioAssay data set	ChEMBL

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