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Ligand

Named[Leu4,Dap8]VP
Molecular formulaC44H61N11O11S2
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 weight984.158
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP-1.6
SynonymsBDBM50205303
D0O5TK
CHEMBL373968
Inchi KeyZAOGZAMKKBQERK-NXBWRCJVSA-N
Inchi IDInChI=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 CID16109446
ChEMBLCHEMBL373968
IUPHARN/A
BindingDB50205303
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
423809Oxytocin receptorP30559OXTRHomo sapiens (Human)389
423810Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
423807Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
423806Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
423808Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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