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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	CHEMBL1472621
Molecular formula	C26H24BrClN4O3S
IUPAC name	3-amino-4-(4-bromophenyl)-5-N-(4-chlorophenyl)-2-N-(3-methoxypropyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide
Molecular weight	587.917
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	6.1
Synonyms	3-amino-4-(4-bromophenyl)-N~5~-(4-chlorophenyl)-N~2~-(3-methoxypropyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide NCGC00105113-01 MCULE-4659336718 AKOS001768416 ZINC8592216 MolPort-010-969-758 C200-0512 HMS1814I22 [ Show all ]
Inchi Key	AGRYUJYNZSSDRG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H24BrClN4O3S/c1-14-19(24(33)32-18-10-8-17(28)9-11-18)20(15-4-6-16(27)7-5-15)21-22(29)23(36-26(21)31-14)25(34)30-12-3-13-35-2/h4-11H,3,12-13,29H2,1-2H3,(H,30,34)(H,32,33)
PubChem CID	15988292
ChEMBL	CHEMBL1472621
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

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

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