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Name | CHEMBL2372272 |
---|---|
Molecular formula | C48H71N11O9 |
IUPAC name | (10R,13S,16S,19S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-19-(2-amino-2-oxoethyl)-13-benzyl-10-[(4-ethoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-16-propan-2-yl-9,12,15,18,21-pentazaspiro[5.19]pentacosane-22-carboxamide |
Molecular weight | 946.164 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | 2.6 |
Synonyms | BDBM50227472 |
Inchi Key | BCXNYTJSYZCHKQ-PLTIDYDKSA-N |
Inchi ID | InChI=1S/C48H71N11O9/c1-4-68-32-19-17-31(18-20-32)26-35-43(64)57-36(25-30-13-7-5-8-14-30)45(66)59-40(29(2)3)46(67)58-37(27-38(49)60)44(65)56-34(42(63)55-33(41(50)62)16-12-24-53-47(51)52)15-11-23-48(28-39(61)54-35)21-9-6-10-22-48/h5,7-8,13-14,17-20,29,33-37,40H,4,6,9-12,15-16,21-28H2,1-3H3,(H2,49,60)(H2,50,62)(H,54,61)(H,55,63)(H,56,65)(H,57,64)(H,58,67)(H,59,66)(H4,51,52,53)/t33-,34?,35+,36-,37-,40-/m0/s1 |
PubChem CID | 14182914 |
ChEMBL | CHEMBL2372272 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
20631 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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