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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	MLS000333702
Molecular formula	C18H13FN2OS
IUPAC name	4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
Molecular weight	324.373
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.9
Synonyms	HMS2805L04 4-(4-Fluoro-benzylsulfanyl)-2-methyl-benzo[4,5]furo[3,2-d]pyrimidine AKOS022124308 MolPort-002-619-711 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine CHEMBL1339257 ZINC5217310 848064-47-1 MCULE-2104777438 4-[(4-fluorobenzyl)sulfanyl]-2-methyl[1]benzofuro[3,2-d]pyrimidine BDBM61100 SMR000437813 4-[(4-fluorophenyl)methylthio]-2-methylbenzofuro[3,2-d]pyrimidine cid_3458131 AC1MQVBT 4-[(4-fluorobenzyl)thio]-2-methyl-benzofuro[3,2-d]pyrimidine STL345376 [ Show all ]
Inchi Key	BXYNVRSBWLAKGL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13FN2OS/c1-11-20-16-14-4-2-3-5-15(14)22-17(16)18(21-11)23-10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
PubChem CID	3458131
ChEMBL	CHEMBL1339257
IUPHAR	N/A
BindingDB	61100
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	35481.3 nM	PubChem BioAssay data set	ChEMBL

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