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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	MLS002161239
Molecular formula	C19H17NO5
IUPAC name	[2-(1H-indol-3-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
Molecular weight	339.347
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.3
Synonyms	3,4-dimethoxybenzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester CHEMBL1514340 ZINC3571417 AB00732305-01 MCULE-8466363541 BDBM88705 SMR001243663 3,4-dimethoxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester cid_2689697 [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate AC1MAWBK 2-(1H-indol-3-yl)-2-oxoethyl 3,4-dimethoxybenzoate Z18491228 573966-93-5 HMS3068L16 [2-(1H-indol-3-yl)-2-oxoethyl] 3,4-dimethoxybenzoate AKOS001075954 MolPort-004-084-612 [ Show all ]
Inchi Key	ADHVSMMLXKWZCE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H17NO5/c1-23-17-8-7-12(9-18(17)24-2)19(22)25-11-16(21)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,11H2,1-2H3
PubChem CID	2689697
ChEMBL	CHEMBL1514340
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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