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Name | CHEMBL188738 |
---|---|
Molecular formula | C45H67N13O8 |
IUPAC name | (2S)-2-[[2-[[2-[acetyl(butyl)amino]acetyl]amino]acetyl]amino]-6-amino-N-[(2R)-1-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-[3-(diaminomethylideneamino)propyl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide |
Molecular weight | 918.114 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 9 |
XlogP | -0.6 |
Synonyms | BDBM50410257 |
Inchi Key | CUXFGPHBQAHDES-PQQNNWGCSA-N |
Inchi ID | InChI=1S/C45H67N13O8/c1-3-4-21-56(31(2)59)28-40(62)53-27-39(61)54-36(17-10-11-19-46)43(65)55-37(24-32-13-6-5-7-14-32)44(66)58(22-12-20-50-45(48)49)30-42(64)57(29-41(63)52-26-38(47)60)23-18-33-25-51-35-16-9-8-15-34(33)35/h5-9,13-16,25,36-37,51H,3-4,10-12,17-24,26-30,46H2,1-2H3,(H2,47,60)(H,52,63)(H,53,62)(H,54,61)(H,55,65)(H4,48,49,50)/t36-,37+/m0/s1 |
PubChem CID | 11764499 |
ChEMBL | CHEMBL188738 |
IUPHAR | N/A |
BindingDB | 50410257 |
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 |
---|---|---|---|---|---|
51231 | Melanocortin receptor 3 | P41968 | MC3R | Homo sapiens (Human) | 323 |
51230 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
51232 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
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