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Name | CHEMBL3144288 |
---|---|
Molecular formula | C49H65IN10O11S2 |
IUPAC name | (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-[(2S,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxy-3-(125I)iodanylphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
Molecular weight | 1159.14 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 14 |
XlogP | 1.3 |
Synonyms | N/A |
Inchi Key | HAEDWNRNLYOMDG-JCCHYVADSA-N |
Inchi ID | InChI=1S/C49H65IN10O11S2/c1-26(62)38(23-61)57-48(70)40-25-73-72-24-39(58-43(65)33(52)19-28-10-4-3-5-11-28)47(69)55-36(20-29-15-16-41(64)32(50)18-29)45(67)56-37(21-30-22-53-34-13-7-6-12-31(30)34)46(68)54-35(14-8-9-17-51)44(66)60-42(27(2)63)49(71)59-40/h3-7,10-13,15-16,18,22,26-27,33,35-40,42,53,61-64H,8-9,14,17,19-21,23-25,51-52H2,1-2H3,(H,54,68)(H,55,69)(H,56,67)(H,57,70)(H,58,65)(H,59,71)(H,60,66)/t26-,27-,33+,35+,36+,37-,38+,39+,40+,42+/m1/s1/i50-2 |
PubChem CID | 90663876 |
ChEMBL | CHEMBL3144288 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
109744 | Somatostatin receptor type 2 | P30680 | Sstr2 | Rattus norvegicus (Rat) | 369 |
109745 | Somatostatin receptor type 2 | P30874 | SSTR2 | Homo sapiens (Human) | 369 |
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