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Name | CHEMBL405818 |
---|---|
Molecular formula | C45H66N8O8S2 |
IUPAC name | (10S,13R,16S,19R,22R)-13-(2-amino-2-oxoethyl)-N-(5-aminopentyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carboxamide |
Molecular weight | 911.191 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 8 |
XlogP | 3.0 |
Synonyms | BDBM50020651 19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carboxylic acid (5-amino-pentyl)-amide |
Inchi Key | PDBKYPQULNSDDF-DMRKQDHBSA-N |
Inchi ID | InChI=1S/C45H66N8O8S2/c1-4-61-32-18-16-31(17-19-32)25-33-41(57)50-34(24-30-14-8-5-9-15-30)43(59)53-39(29(2)3)44(60)51-35(26-37(47)54)42(58)52-36(40(56)48-23-13-7-12-22-46)28-62-63-45(27-38(55)49-33)20-10-6-11-21-45/h5,8-9,14-19,29,33-36,39H,4,6-7,10-13,20-28,46H2,1-3H3,(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 | 44294532 |
ChEMBL | CHEMBL405818 |
IUPHAR | N/A |
BindingDB | 50020651 |
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 |
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256783 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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