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Name | d[Leu4,Dap8]VP |
---|---|
Molecular formula | C44H61N11O11S2 |
IUPAC name | (2S)-N-[(2S)-3-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide |
Molecular weight | 984.158 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 11 |
XlogP | -1.6 |
Synonyms | BDBM50205303 D0O5TK CHEMBL373968 |
Inchi Key | ZAOGZAMKKBQERK-NXBWRCJVSA-N |
Inchi ID | InChI=1S/C44H61N11O11S2/c1-24(2)17-28-39(61)52-31(20-35(46)57)42(64)54-33(44(66)55-15-6-9-34(55)43(65)53-32(21-45)38(60)48-22-36(47)58)23-68-67-16-14-37(59)49-29(19-26-10-12-27(56)13-11-26)40(62)51-30(41(63)50-28)18-25-7-4-3-5-8-25/h3-5,7-8,10-13,24,28-34,56H,6,9,14-23,45H2,1-2H3,(H2,46,57)(H2,47,58)(H,48,60)(H,49,59)(H,50,63)(H,51,62)(H,52,61)(H,53,65)(H,54,64)/t28-,29-,30-,31-,32-,33-,34-/m0/s1 |
PubChem CID | 16109446 |
ChEMBL | CHEMBL373968 |
IUPHAR | N/A |
BindingDB | 50205303 |
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 |
---|---|---|---|---|---|
423809 | Oxytocin receptor | P30559 | OXTR | Homo sapiens (Human) | 389 |
423810 | Oxytocin receptor | P70536 | Oxtr | Rattus norvegicus (Rat) | 388 |
423807 | Vasopressin V1a receptor | P30560 | Avpr1a | Rattus norvegicus (Rat) | 424 |
423806 | Vasopressin V1b receptor | P48974 | Avpr1b | Rattus norvegicus (Rat) | 425 |
423808 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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