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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	ethyl 2-[4-(cyanomethyl)-3-oxo-3,4-dihydro-2-quinoxalinyl]acetate
Molecular formula	C14H13N3O3
IUPAC name	ethyl 2-[4-(cyanomethyl)-3-oxoquinoxalin-2-yl]acetate
Molecular weight	271.276
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	1.1
Synonyms	2-[4-(cyanomethyl)-3-oxo-2-quinoxalinyl]acetic acid ethyl ester cid_5181996 MLS000721275 SMR000335703 AC1NPNJ2 ethyl 2-[4-(cyanomethyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]acetate KS-00001VU4 3R-0829 ethyl 2-[4-(cyanomethyl)-3-oxidanylidene-quinoxalin-2-yl]ethanoate MolPort-002-866-506 ZINC5952823 AKOS005089387 ethyl 2-[4-(cyanomethyl)-3-oxoquinoxalin-2-yl]acetate 2-[4-(cyanomethyl)-3-keto-quinoxalin-2-yl]acetic acid ethyl ester CHEMBL1529516 MCULE-2532115650 478041-11-1 Oprea1_851276 BDBM52697 HMS2687J20 [ Show all ]
Inchi Key	AASGCGWCHGCYQQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H13N3O3/c1-2-20-13(18)9-11-14(19)17(8-7-15)12-6-4-3-5-10(12)16-11/h3-6H,2,8-9H2,1H3
PubChem CID	5181996
ChEMBL	CHEMBL1529516
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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