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Name | CID 71605539 |
---|---|
Molecular formula | C74H92N18O15S3 |
IUPAC name | (2S,5S,8S,11S,14R,19R,22S,25R,28S,34S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-19-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(2-amino-2-oxoethyl)-11,25-dibenzyl-34-(3-carbamimidamidopropyl)-2-(1H-indol-3-ylmethyl)-8,22-dimethyl-3,6,9,12,20,23,26,32,36-nonaoxo-16,17,30-trithia-1,4,7,10,13,21,24,27,35-nonazabicyclo[26.4.4]hexatriacontane-14-carboxamide |
Molecular weight | 1569.84 |
Hydrogen bond acceptor | 20 |
Hydrogen bond donor | 19 |
XlogP | 0.9 |
Synonyms | N/A |
Inchi Key | HCEITYKMCSXXGB-RSXGRFIASA-N |
Inchi ID | InChI=1S/C74H92N18O15S3/c1-40-64(98)87-55(31-43-14-7-4-8-15-43)69(103)91-59(72(106)85-53(63(77)97)29-45-21-25-49(94)26-22-45)38-110-109-37-58(89-66(100)51(75)28-44-19-23-48(93)24-20-44)70(104)83-41(2)65(99)86-54(30-42-12-5-3-6-13-42)68(102)90-57-36-108-39-62(96)92(35-47(84-71(57)105)16-11-27-80-74(78)79)60(32-46-34-81-52-18-10-9-17-50(46)52)73(107)88-56(33-61(76)95)67(101)82-40/h3-10,12-15,17-26,34,40-41,47,51,53-60,81,93-94H,11,16,27-33,35-39,75H2,1-2H3,(H2,76,95)(H2,77,97)(H,82,101)(H,83,104)(H,84,105)(H,85,106)(H,86,99)(H,87,98)(H,88,107)(H,89,100)(H,90,102)(H,91,103)(H4,78,79,80)/t40-,41-,47-,51-,53-,54+,55-,56-,57+,58-,59-,60-/m0/s1 |
PubChem CID | 71605539 |
ChEMBL | CHEMBL2323788 |
IUPHAR | N/A |
BindingDB | 50427678 |
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 |
---|---|---|---|---|---|
111199 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
111198 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
111200 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
111201 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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