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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	MLS001171340
Molecular formula	C16H13N5O3
IUPAC name	(E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-N-pyridin-2-ylprop-2-enamide
Molecular weight	323.312
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.3
Synonyms	(E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-N-(2-pyridinyl)-2-propenamide BDBM83655 (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]-N-(2-pyridyl)acrylamide cid_6311448 (E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-N-pyridin-2-ylprop-2-enamide SMR000589564 (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]-N-pyridin-2-yl-prop-2-enamide HMS2899B04 AC1O3P9X CHEMBL1310631 [ Show all ]
Inchi Key	FPUQPGSEJRDRMP-XYOKQWHBSA-N
Inchi ID	InChI=1S/C16H13N5O3/c1-18-13-6-5-11(9-14(13)21(23)24)8-12(10-17)16(22)20-15-4-2-3-7-19-15/h2-9,18H,1H3,(H,19,20,22)/b12-8+
PubChem CID	6311448
ChEMBL	CHEMBL1310631
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	17782.8 nM	PubChem BioAssay data set	ChEMBL
Potency	30881.0 nM	PubChem BioAssay data set	ChEMBL
Potency	34649.1 nM	PubChem BioAssay data set	ChEMBL

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