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Ligand

Named[Leu4]AVP
Molecular formulaC47H67N13O11S2
IUPAC name(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-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 weight1054.25
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP-1.5
SynonymsD0A6FK
CHEMBL265859
BDBM50205313
Inchi KeyCYOLRNSRVHAZDY-QJCLFNHPSA-N
Inchi IDInChI=1S/C47H67N13O11S2/c1-26(2)20-31-41(66)58-34(23-37(48)62)44(69)59-35(46(71)60-18-7-11-36(60)45(70)55-30(10-6-17-52-47(50)51)40(65)53-24-38(49)63)25-73-72-19-16-39(64)54-32(22-28-12-14-29(61)15-13-28)42(67)57-33(43(68)56-31)21-27-8-4-3-5-9-27/h3-5,8-9,12-15,26,30-36,61H,6-7,10-11,16-25H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,70)(H,56,68)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
PubChem CID44419029
ChEMBLCHEMBL265859
IUPHARN/A
BindingDB50205313
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
53745Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
53749Oxytocin receptorP30559OXTRHomo sapiens (Human)389
53748Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
53747Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
53746Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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