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Name | CHEMBL190080 |
---|---|
Molecular formula | C46H69N13O8 |
IUPAC name | (2S)-2-[[2-[[(2S)-2-acetamidohexanoyl]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]-[4-(diaminomethylideneamino)butyl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide |
Molecular weight | 932.141 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | 0.2 |
Synonyms | BDBM50410247 |
Inchi Key | GKWBRFGCZAYVJV-XEZIGOATSA-N |
Inchi ID | InChI=1S/C46H69N13O8/c1-3-4-17-36(55-31(2)60)43(65)54-28-40(62)56-37(19-10-11-21-47)44(66)57-38(25-32-14-6-5-7-15-32)45(67)59(23-13-12-22-51-46(49)50)30-42(64)58(29-41(63)53-27-39(48)61)24-20-33-26-52-35-18-9-8-16-34(33)35/h5-9,14-16,18,26,36-38,52H,3-4,10-13,17,19-25,27-30,47H2,1-2H3,(H2,48,61)(H,53,63)(H,54,65)(H,55,60)(H,56,62)(H,57,66)(H4,49,50,51)/t36-,37-,38+/m0/s1 |
PubChem CID | 11274575 |
ChEMBL | CHEMBL190080 |
IUPHAR | N/A |
BindingDB | 50410247 |
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 |
---|---|---|---|---|---|
99058 | Melanocortin receptor 3 | P41968 | MC3R | Homo sapiens (Human) | 323 |
99056 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
99057 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
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