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Name | Ac-His-Phe-Arg-Trp-NH2 |
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Molecular formula | C34H43N11O5 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide |
Molecular weight | 685.79 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 9 |
XlogP | -0.3 |
Synonyms | 110392-38-6 2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide(Ac-His-Phe-Arg-Trp-NH2) CHEMBL50056 Ac-His-DPhe-Arg-Trp-NH2 L-Tryptophanamide, N-acetyl-L-histidyl-L-phenylalanyl-L-arginyl- [ Show all ] |
Inchi Key | DFCJPPDAOZROBS-DZUOILHNSA-N |
Inchi ID | InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28-,29-/m0/s1 |
PubChem CID | 10484741 |
ChEMBL | CHEMBL50056 |
IUPHAR | N/A |
BindingDB | 50034910 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
58398 | Melanocortin receptor 3 | P41968 | MC3R | Homo sapiens (Human) | 323 |
58401 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
58396 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
58399 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
58397 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
58395 | Melanocyte-stimulating hormone receptor | Q01726 | MC1R | Homo sapiens (Human) | 317 |
58400 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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