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Name | CHEMBL3350185 |
---|---|
Molecular formula | C62H76N12O12 |
IUPAC name | (2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide |
Molecular weight | 1181.36 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 13 |
XlogP | 4.5 |
Synonyms | BIM 23066 BIM-23066 BDBM85008 |
Inchi Key | UULQBXHJYAJQGW-WMJDRJGJSA-N |
Inchi ID | InChI=1S/C62H76N12O12/c1-36(2)53(62(84)71-51(31-39-16-8-5-9-17-39)61(83)73-54(37(3)75)55(65)77)72-57(79)48(20-12-13-29-63)67-60(82)52(34-42-35-66-47-19-11-10-18-45(42)47)70-59(81)50(33-41-23-27-44(76)28-24-41)69-58(80)49(32-40-21-25-43(26-22-40)74(85)86)68-56(78)46(64)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,66,75-76H,12-13,20,29-34,63-64H2,1-3H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,79)(H,73,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1 |
PubChem CID | 16209188 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85008 |
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 |
---|---|---|---|---|---|
345924 | Somatostatin receptor type 1 | P30872 | SSTR1 | Homo sapiens (Human) | 391 |
556896 | Somatostatin receptor type 2 | P30875 | Sstr2 | Mus musculus (Mouse) | 369 |
345925 | Somatostatin receptor type 3 | P30935 | Sstr3 | Mus musculus (Mouse) | 428 |
345922 | Somatostatin receptor type 4 | P30937 | Sstr4 | Rattus norvegicus (Rat) | 384 |
345923 | Somatostatin receptor type 5 | P35346 | SSTR5 | Homo sapiens (Human) | 364 |
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