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Name | CHEMBL369484 |
---|---|
Molecular formula | C41H60N12O9S2 |
IUPAC name | (4S,7R,10S,13R,16S)-7-(2-aminoethyl)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-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 | 929.126 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 12 |
XlogP | -1.4 |
Synonyms | N/A |
Inchi Key | COAIDJIZMQEFKE-WUUSXOEGSA-N |
Inchi ID | InChI=1S/C41H60N12O9S2/c1-23(2)34-40(62)50-28(14-16-42)36(58)52-31(39(61)49-27(9-6-17-46-41(44)45)35(57)47-21-32(43)55)22-64-63-18-15-33(56)48-29(20-25-10-12-26(54)13-11-25)37(59)51-30(38(60)53-34)19-24-7-4-3-5-8-24/h3-5,7-8,10-13,23,27-31,34,54H,6,9,14-22,42H2,1-2H3,(H2,43,55)(H,47,57)(H,48,56)(H,49,61)(H,50,62)(H,51,59)(H,52,58)(H,53,60)(H4,44,45,46)/t27-,28+,29-,30+,31+,34-/m0/s1 |
PubChem CID | 44386724 |
ChEMBL | CHEMBL369484 |
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 |
---|---|---|---|---|---|
46482 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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