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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	AC1MJZWA
Molecular formula	C15H19N3O2S2
IUPAC name	2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
Molecular weight	337.456
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.9
Synonyms	SMR001246174 CHEMBL1531505 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide MLS002163789 AKOS001235623 Z20230461 HMS3068J07 314261-06-8 MolPort-003-319-391 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide MCULE-2609745293 [ Show all ]
Inchi Key	GYWTWJMLENCDOF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H19N3O2S2/c1-9-10(2)22-15-13(9)14(17-8-18-15)21-7-12(19)16-6-11-4-3-5-20-11/h8,11H,3-7H2,1-2H3,(H,16,19)
PubChem CID	3146230
ChEMBL	CHEMBL1531505
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	3887.7 nM	PubChem BioAssay data set	ChEMBL
Potency	15848.9 nM	PubChem BioAssay data set	ChEMBL
Potency	19438.4 nM	PubChem BioAssay data set	ChEMBL

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