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Ligand

NameSenktide
Molecular formulaC40H55N7O11S
IUPAC name(3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3-carboxypropanoylamino)-4-oxobutanoic acid
Molecular weight841.978
Hydrogen bond acceptor12
Hydrogen bond donor8
XlogP1.1
Synonyms(5S,8S,14S,17S,20S)-14,17-Dibenzyl-5-carbamoyl-20-(carboxymethyl)-8-isobutyl-15-methyl-7,10,13,16,19,22-hexaoxo-2-thia-6,9,12,15,18,21-hexaazapentacosan-25-oic acid
B6580
HY-P0187
CHEMBL106124
LS-96168
[ Show all ]
Inchi KeyHMHYXLVEFVGOPM-QKUYTOGTSA-N
Inchi IDInChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
PubChem CID108147
ChEMBLCHEMBL106124
IUPHAR2127
BindingDB50052524
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
118617Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
118619Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
118622Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
553870Neuromedin-K receptorP47937Tacr3Mus musculus (Mouse)452
118620Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
446368Substance-K receptorP21452TACR2Homo sapiens (Human)398
118621Substance-P receptorP25103TACR1Homo sapiens (Human)407
118623Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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