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Name | CHEMBL195468 |
---|---|
Molecular formula | C44H65N11O4 |
IUPAC name | (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-2-(dodecylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide |
Molecular weight | 812.077 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 9 |
XlogP | 5.8 |
Synonyms | BDBM50166128 (S)-2-{(R)-2-[(S)-2-Dodecylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide |
Inchi Key | FLNONEPLTTUUMZ-BTSKBWHGSA-N |
Inchi ID | InChI=1S/C44H65N11O4/c1-2-3-4-5-6-7-8-9-10-16-23-49-38(27-33-29-48-30-52-33)42(58)55-39(25-31-18-12-11-13-19-31)43(59)53-36(22-17-24-50-44(46)47)41(57)54-37(40(45)56)26-32-28-51-35-21-15-14-20-34(32)35/h11-15,18-21,28-30,36-39,49,51H,2-10,16-17,22-27H2,1H3,(H2,45,56)(H,48,52)(H,53,59)(H,54,57)(H,55,58)(H4,46,47,50)/t36-,37-,38-,39+/m0/s1 |
PubChem CID | 44400403 |
ChEMBL | CHEMBL195468 |
IUPHAR | N/A |
BindingDB | 50166128 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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81410 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
81409 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
81411 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
81412 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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