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Ligand

NameCHEMBL2018573
Molecular formulaC28H25F2N5O3
IUPAC name(2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-[(4-fluorophenyl)methyl]-1-[2-(triazol-2-yl)acetyl]pyrrolidine-2-carboxamide
Molecular weight517.537
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50380413
SCHEMBL1374763
ACUYMTWKMROFBQ-IBVKSMDESA-N
(2S,4R)-1-(2-(2H-1,2,3-triazol-2-yl)acetyl)-4-(4-fluorobenzyl)-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
Inchi KeyACUYMTWKMROFBQ-IBVKSMDESA-N
Inchi IDInChI=1S/C28H25F2N5O3/c29-21-3-1-19(2-4-21)15-20-16-26(34(17-20)27(36)18-35-31-13-14-32-35)28(37)33-23-7-11-25(12-8-23)38-24-9-5-22(30)6-10-24/h1-14,20,26H,15-18H2,(H,33,37)/t20-,26+/m1/s1
PubChem CID45377016
ChEMBLCHEMBL2018573
IUPHARN/A
BindingDB50380413
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1953Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
1954Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
1955Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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