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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	8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
Molecular formula	C25H22FN3O3
IUPAC name	8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
Molecular weight	431.467
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.9
Synonyms	MCULE-5421601694 AC1MKT7K ST50293505 BAS 12534556 HMS1809K10 MolPort-000-410-868 AKOS000629629 STK231415 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-7,8,9,10-tetrahydropyrazol o[1,5-a]quinazolin-6-one HMS3431H06 876668-13-2 NCGC00103163-01 AKOS016159112 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one CHEMBL1316500 [ Show all ]
Inchi Key	ADPUTCZLQJJHFX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H22FN3O3/c1-14-24(15-4-7-18(26)8-5-15)25-27-13-19-20(29(25)28-14)10-17(11-21(19)30)16-6-9-22(31-2)23(12-16)32-3/h4-9,12-13,17H,10-11H2,1-3H3
PubChem CID	3162808
ChEMBL	CHEMBL1316500
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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