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Name | CHEMBL339532 |
---|---|
Molecular formula | C46H68N8O8S2 |
IUPAC name | (11S,14R,17S,20R,23R)-14-(2-amino-2-oxoethyl)-N-(5-aminopentyl)-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 | 925.218 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 8 |
XlogP | 3.7 |
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 (5-amino-pentyl)-amide BDBM50016755 |
Inchi Key | DYIPWIARIZJQCB-XIHRHSJOSA-N |
Inchi ID | InChI=1S/C46H68N8O8S2/c1-4-62-33-18-16-32(17-19-33)25-34-42(58)51-35(24-31-14-8-5-9-15-31)44(60)54-40(30(2)3)45(61)52-36(26-38(48)55)43(59)53-37(41(57)49-23-13-7-12-22-47)28-63-29-64-46(27-39(56)50-34)20-10-6-11-21-46/h5,8-9,14-19,30,34-37,40H,4,6-7,10-13,20-29,47H2,1-3H3,(H2,48,55)(H,49,57)(H,50,56)(H,51,58)(H,52,61)(H,53,59)(H,54,60)/t34-,35-,36-,37-,40+/m1/s1 |
PubChem CID | 44351278 |
ChEMBL | CHEMBL339532 |
IUPHAR | N/A |
BindingDB | 50016755 |
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 |
---|---|---|---|---|---|
72008 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
72009 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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