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Ligand

NameCHEMBL3311294
Molecular formulaC43H65N5O9
IUPAC name(2S,3R)-2-[[(2R)-4-methyl-2-[[(2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid
Molecular weight796.019
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP6.6
SynonymsBDBM50051622
Inchi KeyCBPNFNAFFDJLMO-WWBXDGBDSA-N
Inchi IDInChI=1S/C43H65N5O9/c1-26(2)22-31(44-38(51)34(25-30-20-16-13-17-21-30)47-41(55)57-43(9,10)11)36(49)46-33(24-29-18-14-12-15-19-29)37(50)45-32(23-27(3)4)39(52)48-35(40(53)54)28(5)56-42(6,7)8/h12-21,26-28,31-35H,22-25H2,1-11H3,(H,44,51)(H,45,50)(H,46,49)(H,47,55)(H,48,52)(H,53,54)/t28-,31-,32-,33+,34+,35+/m1/s1
PubChem CID118707162
ChEMBLCHEMBL3311294
IUPHARN/A
BindingDB50051622
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
443198fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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