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Ligand

NameCHEMBL339941
Molecular formulaC35H58N8O9
IUPAC name(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methylbutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight734.896
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-2.0
SynonymsBDBM50001448
3-Amino-N-[1-(1-{1-[({[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-amino)-methyl]-2-methyl-propylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-hydroxy-ethyl]-succinamic acid
Inchi KeyBPSIZCFBTKYDFH-FVBBHNFOSA-N
Inchi IDInChI=1S/C35H58N8O9/c1-19(2)12-24(31(37)48)40-33(50)25(13-20(3)4)39-29(45)17-38-16-27(21(5)6)42-34(51)26(14-22-10-8-7-9-11-22)41-35(52)28(18-44)43-32(49)23(36)15-30(46)47/h7-11,19-21,23-28,38,44H,12-18,36H2,1-6H3,(H2,37,48)(H,39,45)(H,40,50)(H,41,52)(H,42,51)(H,43,49)(H,46,47)/t23-,24-,25-,26-,27+,28-/m0/s1
PubChem CID10055770
ChEMBLCHEMBL339941
IUPHARN/A
BindingDB50001448
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29857Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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