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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	AC1MQQCV
Molecular formula	C21H23N5O6S
IUPAC name	N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
Molecular weight	473.504
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.9
Synonyms	784196-60-7 MolPort-004-276-077 SCHEMBL2999223 MCULE-7945339116 ZINC12539572 N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(7-nitro-4-oxo-3,4-dihydroquinazolin-3-yl)acetamide CHEMBL1562557 SMR000369701 MLS000760435 AKOS033475157 N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide HMS2709B04 Z16226667 [ Show all ]
Inchi Key	AJSHSVUJADXRFD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23N5O6S/c1-4-25(5-2)33(31,32)16-8-6-14(3)18(11-16)23-20(27)12-24-13-22-19-10-15(26(29)30)7-9-17(19)21(24)28/h6-11,13H,4-5,12H2,1-3H3,(H,23,27)
PubChem CID	3505859
ChEMBL	CHEMBL1562557
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	12294.0 nM	PubChem BioAssay data set	ChEMBL
Potency	14125.4 nM	PubChem BioAssay data set	ChEMBL
Potency	38876.9 nM	PubChem BioAssay data set	ChEMBL

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