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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	SMR000634331
Molecular formula	C26H30N4O5S
IUPAC name	7-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Molecular weight	510.609
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.1
Synonyms	7-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one MLS001029371 CHEMBL1413061 HMS2942K11 ZINC15962849 AKOS002103456 MLS003881777 EU-0094562 SR-01000559929 7-(6-(4-(3-methoxyphenyl)piperazin-1-yl)-6-oxohexyl)-6-thioxo-6,7-dihydro-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one MCULE-7344905632 MolPort-007-912-013 F3168-1981 SR-01000559929-1 [ Show all ]
Inchi Key	ADFQVBGUPIOXRT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H30N4O5S/c1-33-19-7-5-6-18(14-19)28-10-12-29(13-11-28)24(31)8-3-2-4-9-30-25(32)20-15-22-23(35-17-34-22)16-21(20)27-26(30)36/h5-7,14-16H,2-4,8-13,17H2,1H3,(H,27,36)
PubChem CID	15996885
ChEMBL	CHEMBL1413061
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Potency	35481.3 nM	PubChem BioAssay data set	ChEMBL

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