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Name | CHEMBL3646886 |
---|---|
Molecular formula | C48H69N17O10 |
IUPAC name | (2S,5R,8S,11S,14S,22S)-22-[[(2R)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-amino-2-oxoethyl)-5-benzyl-8-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,17,23-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-14-carboxamide |
Molecular weight | 1044.19 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 15 |
XlogP | -3.9 |
Synonyms | US8846601, 156 BDBM135771 SCHEMBL10308053 |
Inchi Key | BOAIJXQJMLWMSF-GWZAZKCQSA-N |
Inchi ID | InChI=1S/C48H69N17O10/c1-26(66)59-32(14-8-20-56-47(51)52)41(70)61-33-15-7-19-55-39(68)18-17-31(40(50)69)60-45(74)36(23-28-25-58-30-13-6-5-12-29(28)30)64-42(71)34(16-9-21-57-48(53)54)62-44(73)35(22-27-10-3-2-4-11-27)63-46(75)37(24-38(49)67)65-43(33)72/h2-6,10-13,25,31-37,58H,7-9,14-24H2,1H3,(H2,49,67)(H2,50,69)(H,55,68)(H,59,66)(H,60,74)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t31-,32+,33-,34-,35+,36-,37-/m0/s1 |
PubChem CID | 88590708 |
ChEMBL | CHEMBL3646886 |
IUPHAR | N/A |
BindingDB | 135771 |
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 |
---|---|---|---|---|---|
466422 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
517465 | Melanocyte-stimulating hormone receptor | Q01726 | MC1R | Homo sapiens (Human) | 317 |
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