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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	MLS000087711
Molecular formula	C20H16BrClN2O4
IUPAC name	N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-chlorophenyl]furan-2-carboxamide
Molecular weight	463.712
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.6
Synonyms	MolPort-007-553-011 SR-01000418543 BDBM75963 N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-chlorophenyl]furan-2-carboxamide cid_3243431 MCULE-6728145280 Oprea1_634228 AC1MMRTR N-[4-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]-2-chloranyl-phenyl]furan-2-carboxamide SR-01000418543-1 EU-0069964 N-[4-[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-2-chlorophenyl]-2-furancarboxamide SMR000023932 AKOS001595198 N-[4-[(3-bromo-4-ethoxy-benzoyl)amino]-2-chloro-phenyl]-2-furamide ZINC4035642 CHEMBL1461732 HMS2457H05 N-{4-[(3-bromo-4-ethoxybenzoyl)amino]-2-chlorophenyl}-2-furamide [ Show all ]
Inchi Key	ANVKONNLYQQYNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H16BrClN2O4/c1-2-27-17-8-5-12(10-14(17)21)19(25)23-13-6-7-16(15(22)11-13)24-20(26)18-4-3-9-28-18/h3-11H,2H2,1H3,(H,23,25)(H,24,26)
PubChem CID	3243431
ChEMBL	CHEMBL1461732
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	35481.3 nM	PubChem BioAssay data set	ChEMBL

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