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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	5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-ylhydrosulfide
Molecular formula	C9H8N2OS2
IUPAC name	5-(2-methylsulfanylphenyl)-3H-1,3,4-oxadiazole-2-thione
Molecular weight	224.296
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.5
Synonyms	6L-608S CTK8F6663 SBB096678 338968-03-9 5-(2-methylthiophenyl)-1,3,4-oxadiazole-2-thiol BDBM47348 MCULE-3023749604 ZINC15924014 5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazole-2-thiol cid_2764158 MolPort-002-345-171 AC1MC9DJ HMS2658F18 SMR000334652 5-(2-(Methylthio)phenyl)-1,3,4-oxadiazole-2-thiol 5-[2-(Methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl hydrosulfide methylsulfanylphenyloxadiazolylhydrosulfide 5-[2-(methylthio)phenyl]-3H-1,3,4-oxadiazole-2-thione CTK7B5173 RP12973 AKOS005070836 KS-00001YIO TR-062978 5-(2-methylsulfanylphenyl)-3H-1,3,4-oxadiazole-2-thione CHEMBL1326901 MLS000695029 [ Show all ]
Inchi Key	FWDJIBHZKZYFRV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H8N2OS2/c1-14-7-5-3-2-4-6(7)8-10-11-9(13)12-8/h2-5H,1H3,(H,11,13)
PubChem CID	2764158
ChEMBL	CHEMBL1326901
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	6147.0 nM	PubChem BioAssay data set	ChEMBL
Potency	10000.0 nM	PubChem BioAssay data set	ChEMBL
Potency	10931.0 nM	PubChem BioAssay data set	ChEMBL

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