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Name | CHEMBL105113 |
---|---|
Molecular formula | C34H43N11O6 |
IUPAC name | (2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide |
Molecular weight | 701.789 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 10 |
XlogP | -0.4 |
Synonyms | 2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(4-hydroxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide BDBM50115366 Ac-His-DTyr-Arg-Trp-NH2 |
Inchi Key | FGCBZBMPOFJXID-FKWFRFQNSA-N |
Inchi ID | InChI=1S/C34H43N11O6/c1-19(46)42-29(15-22-17-38-18-41-22)33(51)45-28(13-20-8-10-23(47)11-9-20)32(50)43-26(7-4-12-39-34(36)37)31(49)44-27(30(35)48)14-21-16-40-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,40,47H,4,7,12-15H2,1H3,(H2,35,48)(H,38,41)(H,42,46)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1 |
PubChem CID | 11039787 |
ChEMBL | CHEMBL105113 |
IUPHAR | N/A |
BindingDB | 50115366 |
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 |
---|---|---|---|---|---|
77648 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
77647 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
77649 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
77650 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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