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Name | CHEMBL339073 |
---|---|
Molecular formula | C45H66N8O8S2 |
IUPAC name | (11S,14R,17S,20R,23R)-N-(4-aminobutyl)-14-(2-amino-2-oxoethyl)-20-benzyl-23-[(4-ethoxyphenyl)methyl]-13,16,19,22,25-pentaoxo-17-propan-2-yl-7,9-dithia-12,15,18,21,24-pentazaspiro[5.20]hexacosane-11-carboxamide |
Molecular weight | 911.191 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 8 |
XlogP | 3.4 |
Synonyms | 20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzyl)-17-isopropyl-13,16,19,22,25-pentaoxo-7,9-dithia-12,15,18,21,24-pentaaza-spiro[5.20]hexacosane-11-carboxylic acid (4-amino-butyl)-amide BDBM50016749 |
Inchi Key | LWTPRZLMWCNEJJ-DMRKQDHBSA-N |
Inchi ID | InChI=1S/C45H66N8O8S2/c1-4-61-32-17-15-31(16-18-32)24-33-41(57)50-34(23-30-13-7-5-8-14-30)43(59)53-39(29(2)3)44(60)51-35(25-37(47)54)42(58)52-36(40(56)48-22-12-11-21-46)27-62-28-63-45(26-38(55)49-33)19-9-6-10-20-45/h5,7-8,13-18,29,33-36,39H,4,6,9-12,19-28,46H2,1-3H3,(H2,47,54)(H,48,56)(H,49,55)(H,50,57)(H,51,60)(H,52,58)(H,53,59)/t33-,34-,35-,36-,39+/m1/s1 |
PubChem CID | 44351385 |
ChEMBL | CHEMBL339073 |
IUPHAR | N/A |
BindingDB | 50016749 |
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 |
---|---|---|---|---|---|
198377 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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