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Ligand

NameCHEMBL118582
Molecular formulaC42H44F3N5O7
IUPAC name(3R)-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-oxo-4-[2-[3-(trifluoromethyl)phenyl]ethylamino]butanoic acid
Molecular weight787.837
Hydrogen bond acceptor10
Hydrogen bond donor6
XlogP6.7
SynonymsN/A
Inchi KeyAFULPBNMPDSCLG-GVBYMILNSA-N
Inchi IDInChI=1S/C42H44F3N5O7/c1-41(2,3)57-40(56)50-34(22-29-24-47-32-14-7-6-13-31(29)32)39(55)48-33(21-26-15-16-27-10-4-5-11-28(27)19-26)38(54)49-35(23-36(51)52)37(53)46-18-17-25-9-8-12-30(20-25)42(43,44)45/h4-16,19-20,24,33-35,47H,17-18,21-23H2,1-3H3,(H,46,53)(H,48,55)(H,49,54)(H,50,56)(H,51,52)/t33-,34+,35-/m1/s1
PubChem CID44344929
ChEMBLCHEMBL118582
IUPHARN/A
BindingDBN/A
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4520Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430

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