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Name | BIM 23197 |
---|---|
Molecular formula | C57H81N13O13S3 |
IUPAC name | (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-7-ethyl-19-[[(2R)-2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylsulfonylamino]-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)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 | 1252.53 |
Hydrogen bond acceptor | 19 |
Hydrogen bond donor | 14 |
XlogP | 0.0 |
Synonyms | 168016-90-8 BIM-23197 |
Inchi Key | ABXKTKZCYNKQOZ-RPPDHWCPSA-N |
Inchi ID | InChI=1S/C57H81N13O13S3/c1-3-41-51(75)65-48(57(81)67-49(35(2)72)50(59)74)34-85-84-33-47(66-55(79)46(30-36-11-5-4-6-12-36)68-86(82,83)28-26-70-23-21-69(22-24-70)25-27-71)56(80)63-44(29-37-16-18-39(73)19-17-37)53(77)64-45(31-38-32-60-42-14-8-7-13-40(38)42)54(78)62-43(52(76)61-41)15-9-10-20-58/h4-8,11-14,16-19,32,35,41,43-49,60,68,71-73H,3,9-10,15,20-31,33-34,58H2,1-2H3,(H2,59,74)(H,61,76)(H,62,78)(H,63,80)(H,64,77)(H,65,75)(H,66,79)(H,67,81)/t35-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1 |
PubChem CID | 9855144 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85052 |
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 |
---|---|---|---|---|---|
1287 | Somatostatin receptor type 1 | P30872 | SSTR1 | Homo sapiens (Human) | 391 |
555482 | Somatostatin receptor type 2 | P30874 | SSTR2 | Homo sapiens (Human) | 369 |
1288 | Somatostatin receptor type 3 | P32745 | SSTR3 | Homo sapiens (Human) | 418 |
1286 | Somatostatin receptor type 4 | P31391 | SSTR4 | Homo sapiens (Human) | 388 |
1285 | Somatostatin receptor type 5 | P35346 | SSTR5 | Homo sapiens (Human) | 364 |
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