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Name | Relaxin receptor 1 |
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Species | Homo sapiens (Human) |
Gene | RXFP1 |
Synonym | Relaxin family peptide receptor 1 RX1 relaxin/insulin like family peptide receptor 1 relaxin receptor 1 RXFPR1 [ 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 |
Name | AC1MFEFV |
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Molecular formula | C20H16N2O6S2 |
IUPAC name | methyl 2-[4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate |
Molecular weight | 444.476 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | SR-01000245807-1 methyl 2-[3-hydroxy-4-(5-methylfuran-2-carbonyl)-2-oxo-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate MLS001035365 SMR000665029 MCULE-1849220348 [ Show all ] |
Inchi Key | GTOVRBJSKUYDAZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H16N2O6S2/c1-9-6-7-11(28-9)15(23)13-14(12-5-4-8-29-12)22(18(25)16(13)24)20-21-10(2)17(30-20)19(26)27-3/h4-8,14,24H,1-3H3 |
PubChem CID | 2917979 |
ChEMBL | CHEMBL1389475 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Potency | 9742.3 nM | PubChem BioAssay data set | ChEMBL |
Potency | 10931.0 nM | PubChem BioAssay data set | ChEMBL |
Potency | 12589.3 nM | PubChem BioAssay data set | ChEMBL |
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