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Name | Ala8,Ava14,15 |
---|---|
Molecular formula | C50H83N17O12S2 |
IUPAC name | 31-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-19-[3-(diaminomethylideneamino)propyl]-13-[(4-hydroxyphenyl)methyl]-28-methyl-25-(2-methylpropyl)-6,12,15,18,21,24,27,30-octaoxo-16-propan-2-yl-1,2-dithia-5,11,14,17,20,23,26,29-octazacyclodotriacontane-4-carboxamide |
Molecular weight | 1178.44 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 16 |
XlogP | -2.7 |
Synonyms | BDBM85969 |
Inchi Key | FIPPSVSXLHDCBJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C50H83N17O12S2/c1-26(2)21-34-44(75)59-23-39(71)62-33(12-10-20-58-50(54)55)46(77)67-40(27(3)4)48(79)65-35(22-30-14-16-31(69)17-15-30)43(74)56-18-8-7-13-38(70)63-36(41(51)72)24-80-81-25-37(47(78)60-28(5)42(73)64-34)66-45(76)32(61-29(6)68)11-9-19-57-49(52)53/h14-17,26-28,32-37,40,69H,7-13,18-25H2,1-6H3,(H2,51,72)(H,56,74)(H,59,75)(H,60,78)(H,61,68)(H,62,71)(H,63,70)(H,64,73)(H,65,79)(H,66,76)(H,67,77)(H4,52,53,57)(H4,54,55,58) |
PubChem CID | 57340396 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85969 |
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 |
---|---|---|---|---|---|
79256 | Melanin-concentrating hormone receptor 2 | Q969V1 | MCHR2 | Homo sapiens (Human) | 340 |
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