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Name | CHEMBL2371680 |
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Molecular formula | C46H69N9O8S2 |
IUPAC name | (10S,13R,16S,19R,22S)-13-(2-aminoethyl)-19-benzyl-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carboxamide |
Molecular weight | 940.233 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 9 |
XlogP | 2.6 |
Synonyms | 13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carboxylic acid (5-amino-1-carbamoyl-pentyl)-amide BDBM50020666 |
Inchi Key | GSIADAXJIMEBNF-ABSFKKRFSA-N |
Inchi ID | InChI=1S/C46H69N9O8S2/c1-4-63-32-18-16-31(17-19-32)26-35-42(59)53-36(25-30-13-7-5-8-14-30)43(60)55-39(29(2)3)45(62)52-34(20-24-48)41(58)54-37(44(61)51-33(40(49)57)15-9-12-23-47)28-64-65-46(27-38(56)50-35)21-10-6-11-22-46/h5,7-8,13-14,16-19,29,33-37,39H,4,6,9-12,15,20-28,47-48H2,1-3H3,(H2,49,57)(H,50,56)(H,51,61)(H,52,62)(H,53,59)(H,54,58)(H,55,60)/t33-,34+,35-,36+,37+,39-/m0/s1 |
PubChem CID | 73348612 |
ChEMBL | CHEMBL2371680 |
IUPHAR | N/A |
BindingDB | 50020666 |
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 |
---|---|---|---|---|---|
104131 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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