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Ligand

NameCHEMBL3311132
Molecular formulaC44H58ClN5O8
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Molecular weight820.425
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP7.2
SynonymsBDBM50051695
Inchi KeyADNHGJNYRGURLT-DWCHZDDLSA-N
Inchi IDInChI=1S/C44H58ClN5O8/c1-27(2)22-33(47-41(54)36(50-43(57)58-44(5,6)7)25-31-18-20-32(45)21-19-31)38(51)48-35(24-29-14-10-8-11-15-29)40(53)46-34(23-28(3)4)39(52)49-37(42(55)56)26-30-16-12-9-13-17-30/h8-21,27-28,33-37H,22-26H2,1-7H3,(H,46,53)(H,47,54)(H,48,51)(H,49,52)(H,50,57)(H,55,56)/t33-,34-,35+,36+,37+/m1/s1
PubChem CID118707025
ChEMBLCHEMBL3311132
IUPHARN/A
BindingDB50051695
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
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GLASS IDNameUniProtGeneSpeciesLength
441769fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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