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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	MLS000727578
Molecular formula	C23H21BrN4O
IUPAC name	6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-phenylquinoline-4-carboxamide
Molecular weight	449.352
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.2
Synonyms	6-bromo-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-phenylquinoline-4-carboxamide N-[(1,3-dimethylpyrazol-4-yl)methyl](6-bromo-2-phenyl(4-quinolyl))-N-methylcar boxamide ST50937796 6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-phenylquinoline-4-carboxamide EU-0050146 AKOS001691941 6-bromo-N-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-methyl-2-phenyl-4-quinolinecarboxamide CHEMBL1328648 NCGC00101023-01 STK422675 6-bromo-N~4~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-2-phenyl-4-quinolinecarboxamide HMS1803O08 6-bromanyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-phenyl-quinoline-4-carboxamide BDBM114387 MolPort-001-535-134 6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-phenyl-cinchoninamide cid_5048043 SMR000306275 ZINC2769037 AC1NNNDV MCULE-5602260781 [ Show all ]
Inchi Key	AGHSRUDOCZHHSV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21BrN4O/c1-15-17(14-28(3)26-15)13-27(2)23(29)20-12-22(16-7-5-4-6-8-16)25-21-10-9-18(24)11-19(20)21/h4-12,14H,13H2,1-3H3
PubChem CID	5048043
ChEMBL	CHEMBL1328648
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	15848.9 nM	PubChem BioAssay data set	ChEMBL
Potency	28183.8 nM	PubChem BioAssay data set	ChEMBL

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