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Name | CHEMBL265832 |
---|---|
Molecular formula | C46H66N14O11S2 |
IUPAC name | (2R)-1-[(4R,7S,10R,13S,16R,19S)-19-amino-7-(2-amino-2-oxoethyl)-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-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide |
Molecular weight | 1055.24 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 13 |
XlogP | -2.7 |
Synonyms | N/A |
Inchi Key | JITASQOSGITBPR-QJXXKFKHSA-N |
Inchi ID | InChI=1S/C46H66N14O11S2/c1-24(2)37-44(70)57-32(20-35(48)62)41(67)58-33(45(71)60-17-7-11-34(60)43(69)54-29(10-6-16-52-46(50)51)39(65)53-21-36(49)63)23-73-72-22-28(47)38(64)55-30(19-26-12-14-27(61)15-13-26)40(66)56-31(42(68)59-37)18-25-8-4-3-5-9-25/h3-5,8-9,12-15,24,28-34,37,61H,6-7,10-11,16-23,47H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,69)(H,55,64)(H,56,66)(H,57,70)(H,58,67)(H,59,68)(H4,50,51,52)/t28-,29+,30-,31+,32+,33+,34-,37-/m1/s1 |
PubChem CID | 44385491 |
ChEMBL | CHEMBL265832 |
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 |
---|---|---|---|---|---|
151936 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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