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Ligand

Named[Cha4,Orn8]VP
Molecular formulaC49H69N11O11S2
IUPAC name(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-(cyclohexylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular weight1052.28
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP0.5
SynonymsD05RNF
CHEMBL263090
BDBM50205295
Inchi KeyCADGMGWLZUBCQD-ZTYVOHGWSA-N
Inchi IDInChI=1S/C49H69N11O11S2/c50-20-7-13-33(43(65)53-27-41(52)63)55-48(70)39-14-8-21-60(39)49(71)38-28-73-72-22-19-42(64)54-34(25-31-15-17-32(61)18-16-31)44(66)56-35(23-29-9-3-1-4-10-29)45(67)57-36(24-30-11-5-2-6-12-30)46(68)58-37(26-40(51)62)47(69)59-38/h1,3-4,9-10,15-18,30,33-39,61H,2,5-8,11-14,19-28,50H2,(H2,51,62)(H2,52,63)(H,53,65)(H,54,64)(H,55,70)(H,56,66)(H,57,67)(H,58,68)(H,59,69)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
PubChem CID16109438
ChEMBLCHEMBL263090
IUPHARN/A
BindingDB50205295
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
37056Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
37057Oxytocin receptorP30559OXTRHomo sapiens (Human)389
37058Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
37059Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
37055Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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