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Ligand

NameCHEMBL262049
Molecular formulaC36H53N7O6S
IUPAC name(2S)-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[[(2S)-2-[[(2S)-2-(5-aminopentanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide
Molecular weight711.923
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP2.0
SynonymsBDBM50001604
2-(2-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propionylamino]-3-phenyl-propionylamino}-acetylamino)-4-methyl-pentanoic acid (1-carbamoyl-3-methylsulfanyl-propyl)-amide
Inchi KeyIXIPTARVRKPIBS-KRCBVYEFSA-N
Inchi IDInChI=1S/C36H53N7O6S/c1-24(2)20-28(35(48)42-27(33(38)46)17-19-50-3)41-32(45)23-39-34(47)29(21-25-12-6-4-7-13-25)43-36(49)30(22-26-14-8-5-9-15-26)40-31(44)16-10-11-18-37/h4-9,12-15,24,27-30H,10-11,16-23,37H2,1-3H3,(H2,38,46)(H,39,47)(H,40,44)(H,41,45)(H,42,48)(H,43,49)/t27-,28-,29-,30-/m0/s1
PubChem CID10055612
ChEMBLCHEMBL262049
IUPHARN/A
BindingDB50001604
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
144037Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
144036Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
144035Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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