You can:
Name | CHEMBL2371440 |
---|---|
Molecular formula | C46H65N13O10S2 |
IUPAC name | (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide |
Molecular weight | 1024.23 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 11 |
XlogP | -1.5 |
Synonyms | BDBM50020701 1-(13,16-Dibenzyl-7-carbamoylmethyl-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl)-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-4-guanidino-butyl]-amide |
Inchi Key | YDDZJUBSHQSGST-CDKUOFBKSA-N |
Inchi ID | InChI=1S/C46H65N13O10S2/c1-26(2)38-44(68)56-32(23-35(47)60)41(65)57-33(45(69)59-19-10-16-34(59)43(67)54-29(15-9-18-51-46(49)50)39(63)52-24-36(48)61)25-71-70-20-17-37(62)53-30(21-27-11-5-3-6-12-27)40(64)55-31(42(66)58-38)22-28-13-7-4-8-14-28/h3-8,11-14,26,29-34,38H,9-10,15-25H2,1-2H3,(H2,47,60)(H2,48,61)(H,52,63)(H,53,62)(H,54,67)(H,55,64)(H,56,68)(H,57,65)(H,58,66)(H4,49,50,51)/t29-,30-,31-,32-,33-,34-,38-/m0/s1 |
PubChem CID | 73347078 |
ChEMBL | CHEMBL2371440 |
IUPHAR | N/A |
BindingDB | 50020701 |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
407188 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218