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Ligand

NameCHEMBL295301
Molecular formulaC33H48N4O5
IUPAC nametert-butyl N-[(2S)-1-[[(2R)-1-[(9-amino-9-oxononyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
Molecular weight580.77
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.3
SynonymsBDBM50282774
{(S)-1-[(R)-1-(8-Carbamoyl-octylcarbamoyl)-2-phenyl-ethylcarbamoyl]-1-methyl-2-phenyl-ethyl}-carbamic acid tert-butyl ester
Inchi KeyHJAQMJATMQOAIW-SYBRLPANSA-N
Inchi IDInChI=1S/C33H48N4O5/c1-32(2,3)42-31(41)37-33(4,24-26-19-13-10-14-20-26)30(40)36-27(23-25-17-11-9-12-18-25)29(39)35-22-16-8-6-5-7-15-21-28(34)38/h9-14,17-20,27H,5-8,15-16,21-24H2,1-4H3,(H2,34,38)(H,35,39)(H,36,40)(H,37,41)/t27-,33+/m1/s1
PubChem CID44291515
ChEMBLCHEMBL295301
IUPHARN/A
BindingDB50282774
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
116208Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
116209Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
116210Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
116207Substance-P receptorP25103TACR1Homo sapiens (Human)407

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