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Ligand

NameCHEMBL296014
Molecular formulaC32H47N3O5
IUPAC nametert-butyl N-[(2S)-1-[[(2R)-1-(8-hydroxyoctylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Molecular weight553.744
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.6
SynonymsBDBM50050642
{(S)-1-[(R)-1-(8-Hydroxy-octylcarbamoyl)-1-methyl-2-phenyl-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
Inchi KeyAGUIGLQOXXRHOB-QVWWMRLHSA-N
Inchi IDInChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)34-27(23-25-17-11-9-12-18-25)28(37)35-32(4,24-26-19-13-10-14-20-26)29(38)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t27-,32+/m0/s1
PubChem CID44291015
ChEMBLCHEMBL296014
IUPHARN/A
BindingDB50050642
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5215Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
5217Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
5218Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
5219Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
5216Substance-P receptorP25103TACR1Homo sapiens (Human)407

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