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Name | CHEMBL446683 |
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Molecular formula | C41H56N6O9S2 |
IUPAC name | (11S,14R,17S,20R,23R)-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-carboxylic acid |
Molecular weight | 841.052 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 7 |
XlogP | 3.8 |
Synonyms | BDBM50016751 20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzyl)-17-isopropy l-13,16,19,22,25-pentaoxo-7,9-dithia-12,15,18,21,24-pentaaza-spiro[5.20]hexacosane-11-carboxylic acid |
Inchi Key | YOJYPLAUIWZLNP-NRLOGRAZSA-N |
Inchi ID | InChI=1S/C41H56N6O9S2/c1-4-56-28-15-13-27(14-16-28)20-29-36(50)44-30(19-26-11-7-5-8-12-26)38(52)47-35(25(2)3)39(53)45-31(21-33(42)48)37(51)46-32(40(54)55)23-57-24-58-41(22-34(49)43-29)17-9-6-10-18-41/h5,7-8,11-16,25,29-32,35H,4,6,9-10,17-24H2,1-3H3,(H2,42,48)(H,43,49)(H,44,50)(H,45,53)(H,46,51)(H,47,52)(H,54,55)/t29-,30-,31-,32-,35+/m1/s1 |
PubChem CID | 44351337 |
ChEMBL | CHEMBL446683 |
IUPHAR | N/A |
BindingDB | 50016751 |
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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415348 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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