You can:
Name | CHEMBL3144282 |
---|---|
Molecular formula | C67H95IN10O26S2 |
IUPAC name | (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1,3-dihydroxybutan-2-yl]-19-[[(2S)-2-[[(2S,3S,4R,5S)-4-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyoxan-2-yl]methylamino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxy-3-(123I)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 | 1643.57 |
Hydrogen bond acceptor | 30 |
Hydrogen bond donor | 24 |
XlogP | -4.4 |
Synonyms | N/A |
Inchi Key | DJTDUQMRMTXFRC-HLYPVPRRSA-N |
Inchi ID | InChI=1S/C67H95IN10O26S2/c1-30(82)42(23-79)75-63(97)44-28-106-105-27-43(76-59(93)39(19-32-10-4-3-5-11-32)71-29-67(99)57(91)55(46(85)26-100-67)103-66-54(90)52(88)56(48(25-81)102-66)104-65-53(89)51(87)50(86)47(24-80)101-65)62(96)73-40(20-33-15-16-45(84)36(68)18-33)60(94)74-41(21-34-22-70-37-13-7-6-12-35(34)37)61(95)72-38(14-8-9-17-69)58(92)78-49(31(2)83)64(98)77-44/h3-7,10-13,15-16,18,22,30-31,38-44,46-57,65-66,70-71,79-91,99H,8-9,14,17,19-21,23-29,69H2,1-2H3,(H,72,95)(H,73,96)(H,74,94)(H,75,97)(H,76,93)(H,77,98)(H,78,92)/t30-,31-,38+,39+,40+,41-,42+,43+,44+,46+,47+,48+,49+,50-,51+,52-,53+,54+,55-,56-,57+,65+,66+,67+/m1/s1/i68-4 |
PubChem CID | 90663870 |
ChEMBL | CHEMBL3144282 |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
61800 | Somatostatin receptor type 2 | P30680 | Sstr2 | Rattus norvegicus (Rat) | 369 |
61801 | Somatostatin receptor type 2 | P30874 | SSTR2 | Homo sapiens (Human) | 369 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218