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Ligand

Named[Arg4,Lys8]VP
Molecular formulaC47H68N14O11S2
IUPAC name(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-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 weight1069.27
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP-3.1
SynonymsCHEMBL375325
BDBM50205298
D04MMD
Inchi KeyKYQCNVIVUUQTRA-QJCLFNHPSA-N
Inchi IDInChI=1S/C47H68N14O11S2/c48-18-5-4-10-30(40(66)54-25-38(50)64)57-45(71)36-12-7-20-61(36)46(72)35-26-74-73-21-17-39(65)55-32(23-28-13-15-29(62)16-14-28)42(68)58-33(22-27-8-2-1-3-9-27)43(69)56-31(11-6-19-53-47(51)52)41(67)59-34(24-37(49)63)44(70)60-35/h1-3,8-9,13-16,30-36,62H,4-7,10-12,17-26,48H2,(H2,49,63)(H2,50,64)(H,54,66)(H,55,65)(H,56,69)(H,57,71)(H,58,68)(H,59,67)(H,60,70)(H4,51,52,53)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
PubChem CID16109442
ChEMBLCHEMBL375325
IUPHARN/A
BindingDB50205298
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
181343Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
181346Oxytocin receptorP30559OXTRHomo sapiens (Human)389
181345Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
181347Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
181344Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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