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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	AC1LCZ0G
Molecular formula	C12H10Br2N2OS
IUPAC name	N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide
Molecular weight	390.093
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	N-benzothiazol-2-yl(2,2-dibromo-1-methylcyclopropyl)carboxamide AKOS022163714 MLS001194813 N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methyl-1-cyclopropanecarboxamide STK204840 CHEMBL1411818 N-(1,3-Benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropanecarboxamide # HMS2873A08 SMR000554830 BQUFNWKWHJFATH-UHFFFAOYSA-N MLS001194813-02 N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide Cyclopropanecarboxamide, 2,2-dibromo-1-methyl-N-(2-benzothiazolyl)- N-1,3-benzothiazol-2-yl-2,2-dibromo-1-methylcyclopropanecarboxamide AKOS001606731 MCULE-9114711013 ST094788 MolPort-002-155-020 N-(1,3-Benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropanecarboxamide A2007/0084294 EU-0035727 [ Show all ]
Inchi Key	BQUFNWKWHJFATH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H10Br2N2OS/c1-11(6-12(11,13)14)9(17)16-10-15-7-4-2-3-5-8(7)18-10/h2-5H,6H2,1H3,(H,15,16,17)
PubChem CID	609181
ChEMBL	CHEMBL1411818
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	19952.6 nM	PubChem BioAssay data set	ChEMBL
Potency	21862.1 nM	PubChem BioAssay data set	ChEMBL

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