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Ligand

NameCHEMBL3311035
Molecular formulaC38H55N5O8
IUPAC name(2S)-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]propanoic acid
Molecular weight709.885
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP5.0
SynonymsBDBM50051703
Inchi KeyBVHZVYIIPTXTNA-KAVNOODHSA-N
Inchi IDInChI=1S/C38H55N5O8/c1-23(2)19-28(32(44)39-25(5)36(48)49)40-34(46)30(21-26-15-11-9-12-16-26)42-33(45)29(20-24(3)4)41-35(47)31(22-27-17-13-10-14-18-27)43-37(50)51-38(6,7)8/h9-18,23-25,28-31H,19-22H2,1-8H3,(H,39,44)(H,40,46)(H,41,47)(H,42,45)(H,43,50)(H,48,49)/t25-,28+,29+,30-,31-/m0/s1
PubChem CID118706968
ChEMBLCHEMBL3311035
IUPHARN/A
BindingDB50051703
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442975fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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