You can:
Name | CHEMBL339943 |
---|---|
Molecular formula | C47H69N11O9S2 |
IUPAC name | (11S,14R,17S,20R,23R)-N-[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-14-(2-amino-2-oxoethyl)-20-benzyl-23-[(4-ethoxyphenyl)methyl]-13,16,19,22,25-pentaoxo-17-propan-2-yl-7,9-dithia-12,15,18,21,24-pentazaspiro[5.20]hexacosane-11-carboxamide |
Molecular weight | 996.257 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 10 |
XlogP | 1.7 |
Synonyms | BDBM50016752 N*1*-[1-(1-Carbamoyl-4-guanidino-butylcarbamoyl)-2-mercapto-ethyl]-2-[2-(2-{3-(4-ethoxy-phenyl)-2-[2-(1-mercapto-cyclohexyl)-acetylamino]-propionylamino}-3-phenyl-propionylamino)-3-methyl-butyrylamino]-succinamide |
Inchi Key | GKYQXENNXMLCDY-YHYOEJKBSA-N |
Inchi ID | InChI=1S/C47H69N11O9S2/c1-4-67-31-17-15-30(16-18-31)23-33-41(62)55-34(22-29-12-7-5-8-13-29)43(64)58-39(28(2)3)45(66)56-35(24-37(48)59)42(63)57-36(44(65)54-32(40(49)61)14-11-21-52-46(50)51)26-68-27-69-47(25-38(60)53-33)19-9-6-10-20-47/h5,7-8,12-13,15-18,28,32-36,39H,4,6,9-11,14,19-27H2,1-3H3,(H2,48,59)(H2,49,61)(H,53,60)(H,54,65)(H,55,62)(H,56,66)(H,57,63)(H,58,64)(H4,50,51,52)/t32-,33-,34-,35-,36-,39+/m1/s1 |
PubChem CID | 44351500 |
ChEMBL | CHEMBL339943 |
IUPHAR | N/A |
BindingDB | 50016752 |
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 |
---|---|---|---|---|---|
99128 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
99129 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218