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Ligand

NameCHEMBL157858
Molecular formulaC37H43N5O6
IUPAC name2-acetamido-N-[(2R)-3-(1-acetylindol-2-yl)-1-[[1-[methyl(1-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxybutanamide
Molecular weight653.78
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.4
SynonymsBDBM50408386
Inchi KeyCIZNXIPAQXGUOX-PERDHIHHSA-N
Inchi IDInChI=1S/C37H43N5O6/c1-23(28-16-10-7-11-17-28)41(5)37(48)32(20-27-14-8-6-9-15-27)40-35(46)31(39-36(47)34(24(2)43)38-25(3)44)22-30-21-29-18-12-13-19-33(29)42(30)26(4)45/h6-19,21,23-24,31-32,34,43H,20,22H2,1-5H3,(H,38,44)(H,39,47)(H,40,46)/t23?,24?,31-,32?,34?/m1/s1
PubChem CID44370713
ChEMBLCHEMBL157858
IUPHARN/A
BindingDB50408386
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43106Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
43105Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
43104Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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