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Ligand

NameCHEMBL2178810
Molecular formulaC27H29ClN2O5S
IUPAC name(2S)-2-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoyl]-methylamino]propanoic acid
Molecular weight529.048
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50399044
SCHEMBL3186161
Inchi KeyANOBKCGPGHZZIZ-IBGZPJMESA-N
Inchi IDInChI=1S/C27H29ClN2O5S/c1-15-13-24(16(2)12-23(15)28)36(34,35)29-22-9-7-8-20(14-22)21-10-17(3)25(18(4)11-21)26(31)30(6)19(5)27(32)33/h7-14,19,29H,1-6H3,(H,32,33)/t19-/m0/s1
PubChem CID59174152
ChEMBLCHEMBL2178810
IUPHARN/A
BindingDB50399044
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
9726Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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