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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	SMR000624270
Molecular formula	C28H34N6O2
IUPAC name	3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]propanamide
Molecular weight	486.62
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.3
Synonyms	CHEMBL1370306 MLS003880410 AKOS001851875 HMS2260N04 MLS001076868
Inchi Key	AKJYPSYIENCAAT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H34N6O2/c1-20-9-8-10-21(2)32(20)18-17-29-26(35)16-15-25-30-31-28-33(19-22-11-4-3-5-12-22)27(36)23-13-6-7-14-24(23)34(25)28/h3-7,11-14,20-21H,8-10,15-19H2,1-2H3,(H,29,35)
PubChem CID	20880788
ChEMBL	CHEMBL1370306
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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