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Ligand

NameCHEMBL297327
Molecular formulaC32H47N3O5
IUPAC nametert-butyl N-[(2S)-1-[[(2R)-1-(8-hydroxyoctylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
Molecular weight553.744
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.6
SynonymsBDBM50282782
{(S)-1-[(R)-1-(8-Hydroxy-octylcarbamoyl)-2-phenyl-ethylcarbamoyl]-1-methyl-2-phenyl-ethyl}-carbamic acid tert-butyl ester
Inchi KeyZYOSMLUSASXSFL-ZUKKLESISA-N
Inchi IDInChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)35-32(4,24-26-19-13-10-14-20-26)29(38)34-27(23-25-17-11-9-12-18-25)28(37)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,33,37)(H,34,38)(H,35,39)/t27-,32+/m1/s1
PubChem CID44291788
ChEMBLCHEMBL297327
IUPHARN/A
BindingDB50282782
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
440655Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
440656Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
440654Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
440653Substance-P receptorP25103TACR1Homo sapiens (Human)407

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