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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 | AC1N17QH |
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Molecular formula | C16H14FN5O3S3 |
IUPAC name | 6-amino-5-[2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione |
Molecular weight | 439.498 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | 796861-16-0 MolPort-004-109-403 ZINC9283408 6-amino-5-(2-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione MCULE-9480356096 [ Show all ] |
Inchi Key | GTOAUYAZMQXOAU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H14FN5O3S3/c1-20-12(18)11(13(24)21(2)15(20)25)10(23)7-27-14-19-22(16(26)28-14)9-5-3-8(17)4-6-9/h3-6H,7,18H2,1-2H3 |
PubChem CID | 4000951 |
ChEMBL | CHEMBL1490219 |
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 | 7757.0 nM | PubChem BioAssay data set | ChEMBL |
Potency | 14125.4 nM | PubChem BioAssay data set | ChEMBL |
Potency | 21810.3 nM | PubChem BioAssay data set | ChEMBL |
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