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Ligand

NameCHEMBL33650
Molecular formulaC23H29N3O4
IUPAC nametert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Molecular weight411.502
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.5
SynonymsBDBM50050675
[(S)-1-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester
CTK1B8106
AC1OEH7D
SCHEMBL11050511
[ Show all ]
Inchi KeyLRRMIZSGLAPKAB-OALUTQOASA-N
Inchi IDInChI=1S/C23H29N3O4/c1-23(2,3)30-22(29)26-19(15-17-12-8-5-9-13-17)21(28)25-18(20(24)27)14-16-10-6-4-7-11-16/h4-13,18-19H,14-15H2,1-3H3,(H2,24,27)(H,25,28)(H,26,29)/t18-,19-/m0/s1
PubChem CID7033529
ChEMBLCHEMBL33650
IUPHARN/A
BindingDB50050675
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
194772Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
194773Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
194771Substance-P receptorP25103TACR1Homo sapiens (Human)407

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