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Ligand

NameCHEMBL3353532
Molecular formulaC28H29N3O4S
IUPAC name4-[[1-[2-(1-benzothiophen-3-yl)acetyl]-2-methylazetidine-2-carbonyl]-(1H-indol-6-ylmethyl)amino]butanoic acid
Molecular weight503.617
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.7
SynonymsSCHEMBL11329657
BDBM50032378
Inchi KeyJMKYPDLUNNTTDW-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29N3O4S/c1-28(11-14-31(28)25(32)16-21-18-36-24-6-3-2-5-22(21)24)27(35)30(13-4-7-26(33)34)17-19-8-9-20-10-12-29-23(20)15-19/h2-3,5-6,8-10,12,15,18,29H,4,7,11,13-14,16-17H2,1H3,(H,33,34)
PubChem CID70564780
ChEMBLCHEMBL3353532
IUPHARN/A
BindingDB50032378
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
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GLASS IDNameUniProtGeneSpeciesLength
447792Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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