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Name | CHEMBL3352878 |
---|---|
Molecular formula | C50H71N17O8 |
IUPAC name | (2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-azido-1-oxobutan-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]amino]-1-oxohexan-2-yl]hexanamide |
Molecular weight | 1038.23 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 12 |
XlogP | 3.0 |
Synonyms | BDBM50031489 |
Inchi Key | FAONKRMCZFSASU-PCYFNTAWSA-N |
Inchi ID | InChI=1S/C50H71N17O8/c1-4-6-17-37(60-30(3)68)44(70)62-38(18-7-5-2)45(71)66-42(26-33-28-55-29-58-33)49(75)64-40(24-31-14-9-8-10-15-31)47(73)63-39(20-13-22-56-50(52)53)46(72)65-41(25-32-27-57-35-19-12-11-16-34(32)35)48(74)61-36(43(51)69)21-23-59-67-54/h8-12,14-16,19,27-29,36-42,57H,4-7,13,17-18,20-26H2,1-3H3,(H2,51,69)(H,55,58)(H,60,68)(H,61,74)(H,62,70)(H,63,73)(H,64,75)(H,65,72)(H,66,71)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-,42-/m0/s1 |
PubChem CID | 118722932 |
ChEMBL | CHEMBL3352878 |
IUPHAR | N/A |
BindingDB | 50031489 |
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 |
---|---|---|---|---|---|
444619 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
444618 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
444621 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
444620 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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