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Ligand

NameCHEMBL3311298
Molecular formulaC51H68N6O10
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]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
Molecular weight925.137
Hydrogen bond acceptor10
Hydrogen bond donor6
XlogP8.7
SynonymsBDBM50051612
Inchi KeyCJIGXYGPFMTIRN-HJRBIJKLSA-N
Inchi IDInChI=1S/C51H68N6O10/c1-31(2)25-37(53-46(61)40(28-34-21-15-12-16-22-34)56-48(64)66-50(5,6)7)43(58)54-39(27-33-19-13-11-14-20-33)45(60)52-38(26-32(3)4)44(59)55-41(47(62)63)29-35-30-57(49(65)67-51(8,9)10)42-24-18-17-23-36(35)42/h11-24,30-32,37-41H,25-29H2,1-10H3,(H,52,60)(H,53,61)(H,54,58)(H,55,59)(H,56,64)(H,62,63)/t37-,38-,39+,40+,41+/m1/s1
PubChem CID118707166
ChEMBLCHEMBL3311298
IUPHARN/A
BindingDB50051612
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
443398fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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