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Ligand

Named[Leu4,Dab8]VP
Molecular formulaC45H63N11O11S2
IUPAC name(2S)-N-[(2S)-4-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxobutan-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 weight998.185
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP-1.3
SynonymsCHEMBL412973
BDBM50205297
D06SDG
Inchi KeyVIYXBPSZIAMFAA-POFDKVPJSA-N
Inchi IDInChI=1S/C45H63N11O11S2/c1-25(2)19-30-40(62)54-33(22-36(47)58)43(65)55-34(45(67)56-17-6-9-35(56)44(66)51-29(14-16-46)39(61)49-23-37(48)59)24-69-68-18-15-38(60)50-31(21-27-10-12-28(57)13-11-27)41(63)53-32(42(64)52-30)20-26-7-4-3-5-8-26/h3-5,7-8,10-13,25,29-35,57H,6,9,14-24,46H2,1-2H3,(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,64)(H,53,63)(H,54,62)(H,55,65)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
PubChem CID16109440
ChEMBLCHEMBL412973
IUPHARN/A
BindingDB50205297
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
356302Oxytocin receptorP30559OXTRHomo sapiens (Human)389
356305Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
356304Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
356306Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
356303Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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