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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	5-(4-fluorophenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one
Molecular formula	C18H12FN3O4S2
IUPAC name	2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
Molecular weight	417.429
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.7
Synonyms	5-(4-fluorophenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one HMS2960B20 AKOS002264302 MolPort-000-811-556 MCULE-1140861217 AKOS005513697 STK592027 (4E)-5-(4-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione CHEMBL1344160 874129-08-5 MolPort-000-522-231 AKOS016310152 STK911616 [ Show all ]
Inchi Key	AFBCHFOZLYMPJU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H12FN3O4S2/c1-27-18-21-20-17(28-18)22-13(9-4-6-10(19)7-5-9)12(15(24)16(22)25)14(23)11-3-2-8-26-11/h2-8,13,24H,1H3
PubChem CID	16445815
ChEMBL	CHEMBL1344160
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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