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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	AC1MTBBI
Molecular formula	C24H26N2O5S2
IUPAC name	2-[[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Molecular weight	486.601
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.5
Synonyms	MLS000936740 CCG-126239 2-({2-(4-methylphenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}thio)-N-(tetrahydrofuran-2-ylmethyl)acetamide HMS2913J11 AKOS001776815 MolPort-003-029-848 2-[[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide MCULE-8384842792 AKOS022026105 SMR000621311 CHEMBL1393192 [ Show all ]
Inchi Key	ABQFVPXSRIYAGX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26N2O5S2/c1-16-5-9-18(10-6-16)22-26-23(33(28,29)20-11-7-17(2)8-12-20)24(31-22)32-15-21(27)25-14-19-4-3-13-30-19/h5-12,19H,3-4,13-15H2,1-2H3,(H,25,27)
PubChem CID	3597887
ChEMBL	CHEMBL1393192
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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