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Name | CHEMBL174907 |
---|---|
Molecular formula | C39H57N11O8S2 |
IUPAC name | (4S,7R,10S,13R,16S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-7-(2-aminoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
Molecular weight | 872.074 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 11 |
XlogP | -0.7 |
Synonyms | N/A |
Inchi Key | VKKHZYGGEMWFFK-NFTWDBOBSA-N |
Inchi ID | InChI=1S/C39H57N11O8S2/c1-22(2)32-38(58)47-27(14-16-40)34(54)49-30(37(57)46-26(33(41)53)9-6-17-44-39(42)43)21-60-59-18-15-31(52)45-28(20-24-10-12-25(51)13-11-24)35(55)48-29(36(56)50-32)19-23-7-4-3-5-8-23/h3-5,7-8,10-13,22,26-30,32,51H,6,9,14-21,40H2,1-2H3,(H2,41,53)(H,45,52)(H,46,57)(H,47,58)(H,48,55)(H,49,54)(H,50,56)(H4,42,43,44)/t26-,27+,28-,29+,30+,32-/m0/s1 |
PubChem CID | 44386479 |
ChEMBL | CHEMBL174907 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
357247 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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