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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	BAS 09528148
Molecular formula	C10H14N2O2S
IUPAC name	N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide
Molecular weight	226.294
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.9
Synonyms	N-(5-Acetyl-4-methyl-thiazol-2-yl)-isobutyramide CHEMBL1451957 SR-01000368279 AC1LEE1X MCULE-6046061731 N-(5-acetyl-4-methyl(1,3-thiazol-2-yl))-2-methylpropanamide ZINC150318 CHEBI:122005 N-(5-acetyl-4-methylthiazol-2-yl)isobutyramide 391219-71-9 F0060-0055 SR-01000368279-1 AKOS000538547 MLS000529475 N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide SMR000121950 AB00461305-03 HMS2314O16 ST063584 MolPort-002-014-965 [ Show all ]
Inchi Key	ANFXSJDPGZAMEP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14N2O2S/c1-5(2)9(14)12-10-11-6(3)8(15-10)7(4)13/h5H,1-4H3,(H,11,12,14)
PubChem CID	734580
ChEMBL	CHEMBL1451957
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	8912.5 nM	PubChem BioAssay data set	ChEMBL
Potency	15440.5 nM	PubChem BioAssay data set	ChEMBL
Potency	19438.4 nM	PubChem BioAssay data set	ChEMBL

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