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Name | CHEMBL3358536 |
---|---|
Molecular formula | C51H73N17O8 |
IUPAC name | (2S)-2-[[(2S)-2-acetamidohexanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-azido-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]octanamide |
Molecular weight | 1052.26 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 12 |
XlogP | 3.7 |
Synonyms | BDBM50031495 |
Inchi Key | GMRAYQVDTHJHDB-ZRBRQIMBSA-N |
Inchi ID | InChI=1S/C51H73N17O8/c1-4-6-8-12-21-38(62-45(71)37(19-7-5-2)61-31(3)69)46(72)66-42(26-34-28-56-30-59-34)50(76)64-40(24-32-16-10-9-11-17-32)48(74)63-39(22-15-23-57-51(53)54)47(73)65-41(49(75)67-43(44(52)70)29-60-68-55)25-33-27-58-36-20-14-13-18-35(33)36/h9-11,13-14,16-18,20,27-28,30,37-43,58H,4-8,12,15,19,21-26,29H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,71)(H,63,74)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,53,54,57)/t37-,38-,39-,40+,41-,42-,43-/m0/s1 |
PubChem CID | 118722927 |
ChEMBL | CHEMBL3358536 |
IUPHAR | N/A |
BindingDB | 50031495 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
445639 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
445640 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
445641 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
445638 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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