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Ligand

NameCHEMBL406978
Molecular formulaC36H47N7O10S
IUPAC name(3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight769.871
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP1.3
Synonyms3-{2-[2-{2-[2-tert-Butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid
BDBM50026689
Inchi KeyBOSWYVHWZQPZMM-LJWNLINESA-N
Inchi IDInChI=1S/C36H47N7O10S/c1-36(2,3)53-35(52)43-27(15-20-9-11-22(44)12-10-20)32(49)39-19-29(45)40-28(16-21-18-38-24-8-6-5-7-23(21)24)34(51)41-25(13-14-54-4)33(50)42-26(31(37)48)17-30(46)47/h5-12,18,25-28,38,44H,13-17,19H2,1-4H3,(H2,37,48)(H,39,49)(H,40,45)(H,41,51)(H,42,50)(H,43,52)(H,46,47)/t25-,26-,27-,28-/m0/s1
PubChem CID15592679
ChEMBLCHEMBL406978
IUPHARN/A
BindingDB50026689
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29115Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444

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