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Ligand

NameCHEMBL3311300
Molecular formulaC51H67N5O9
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-benzoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(cyclohexen-1-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Molecular weight894.123
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP8.8
SynonymsBDBM50051610
Inchi KeyAWJAGPZHVYVFHV-FYYRRIAOSA-N
Inchi IDInChI=1S/C51H67N5O9/c1-32(2)27-39(53-48(61)42(56-50(64)65-51(5,6)7)30-36-23-25-38(26-24-36)44(57)37-21-15-10-16-22-37)45(58)54-41(29-34-17-11-8-12-18-34)47(60)52-40(28-33(3)4)46(59)55-43(49(62)63)31-35-19-13-9-14-20-35/h9-10,13-17,19-26,32-33,39-43H,8,11-12,18,27-31H2,1-7H3,(H,52,60)(H,53,61)(H,54,58)(H,55,59)(H,56,64)(H,62,63)/t39-,40-,41+,42+,43+/m1/s1
PubChem CID118707168
ChEMBLCHEMBL3311300
IUPHARN/A
BindingDB50051610
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
442288fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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