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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	2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
Molecular formula	C17H18N6O5
IUPAC name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
Molecular weight	386.368
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	0.2
Synonyms	AC1NZSYY SMR000414522 (1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid [1-(4-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide MolPort-000-442-962 AC1OAGNS ST50061607 CHEMBL1979668 374677-44-8 N-[(1E)-2-(4-hydroxy-3-methoxyphenyl)-1-azavinyl]-2-(1,3-dimethyl-2,6-dioxo(1, 3,7-trihydropurin-7-yl))acetamide AKOS002175031 STK036928 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide MLS000778128 [ Show all ]
Inchi Key	ALUYWDYRWYPVTP-FBCYGCLPSA-N
Inchi ID	InChI=1S/C17H18N6O5/c1-21-15-14(16(26)22(2)17(21)27)23(9-18-15)8-13(25)20-19-7-10-4-5-11(24)12(6-10)28-3/h4-7,9,24H,8H2,1-3H3,(H,20,25)/b19-7+
PubChem CID	135641876
ChEMBL	CHEMBL1979668
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	15848.9 nM	PubChem BioAssay data set	ChEMBL
Potency	27522.7 nM	PubChem BioAssay data set	ChEMBL
Potency	38876.9 nM	PubChem BioAssay data set	ChEMBL

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