Reaction Details |
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Target | Melanocyte-stimulating hormone receptor |
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Ligand | BDBM50590043 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2194696 (CHEMBL5107056) |
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Ki | 2.8±n/a nM |
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Citation | White, AM; Dellsén, A; Larsson, N; Kaas, Q; Jansen, F; Plowright, AT; Knerr, L; Durek, T; Craik, DJ Late-Stage Functionalization with Cysteine Staples Generates Potent and Selective Melanocortin Receptor-1 Agonists. J Med Chem65:12956-12969 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Melanocyte-stimulating hormone receptor |
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Name: | Melanocyte-stimulating hormone receptor |
Synonyms: | MC1-R | MC1R | MSH-R | MSHR | MSHR_HUMAN | Melanocortin MC1 | Melanocortin receptor (M1 and M4) | Melanocortin receptor 1 (MC-1) | Melanocortin receptor 1 (MC1-R) | Melanocortin receptor 1 (MC1R) |
Type: | Enzyme |
Mol. Mass.: | 34717.23 |
Organism: | Homo sapiens (Human) |
Description: | Q01726 |
Residue: | 317 |
Sequence: | MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVV
ATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVI
DVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFI
AYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGA
VTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAF
HSQELRRTLKEVLTCSW
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BDBM50590043 |
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n/a |
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Name | BDBM50590043 |
Synonyms: | CHEMBL5179081 |
Type | Small organic molecule |
Emp. Form. | C134H165N37O27S2 |
Mol. Mass. | 2790.106 |
SMILES | [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCOCCOCCNC(=O)c4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc45)C2CCc31 |r| |
Structure |
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