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Name | CHEMBL2373423 |
---|---|
Molecular formula | C53H75N13O10 |
IUPAC name | (2S)-N-[(2S)-6-amino-1-[(2R)-2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]butanediamide |
Molecular weight | 1054.26 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 11 |
XlogP | 0.4 |
Synonyms | CHEMBL387218 BDBM50452733 |
Inchi Key | BKUWCDXZBLWXOP-AECBHFLPSA-N |
Inchi ID | InChI=1S/C53H75N13O10/c1-32(2)45(65-49(72)40(28-33-14-6-4-7-15-33)63-47(70)39(29-35-21-23-36(76-3)24-22-35)60-44(68)30-34-16-8-5-9-17-34)51(74)64-41(31-43(55)67)48(71)62-38(18-10-11-25-54)52(75)66-27-13-20-42(66)50(73)61-37(46(56)69)19-12-26-59-53(57)58/h4-9,14-17,21-24,32,37-42,45H,10-13,18-20,25-31,54H2,1-3H3,(H2,55,67)(H2,56,69)(H,60,68)(H,61,73)(H,62,71)(H,63,70)(H,64,74)(H,65,72)(H4,57,58,59)/t37-,38-,39+,40-,41-,42+,45-/m0/s1 |
PubChem CID | 44335261 |
ChEMBL | CHEMBL2373423 |
IUPHAR | N/A |
BindingDB | 50452733 |
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 |
---|---|---|---|---|---|
26192 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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