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Ligand

NameCHEMBL3901430
Molecular formulaC27H31N5O4S
IUPAC nameN-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylethanesulfonamide
Molecular weight521.636
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.8
SynonymsSCHEMBL12421420
Inchi KeyAEAGOICXHIPXLU-XMMPIXPASA-N
Inchi IDInChI=1S/C27H31N5O4S/c1-18(2)35-25-11-8-19(16-20(25)17-28)27-29-26(30-36-27)23-7-5-6-22-21(23)9-10-24(22)31-37(33,34)15-14-32-12-3-4-13-32/h5-8,11,16,18,24,31H,3-4,9-10,12-15H2,1-2H3/t24-/m1/s1
PubChem CID58344899
ChEMBLCHEMBL3901430
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
535994Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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