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Ligand

NameCHEMBL599051
Molecular formulaC21H18ClNO3S
IUPAC name4-[(1S)-1-[[4-[(3-chlorophenyl)methyl]thiophene-3-carbonyl]amino]ethyl]benzoic acid
Molecular weight399.889
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50308124
SCHEMBL2352356
4-[(1S)-1-({[4-(3-Chlorobenzyl)-3-thienyl]carbonyl}amino)ethyl]-benzoic Acid
Inchi KeyCKYFFWHUNIOYDH-ZDUSSCGKSA-N
Inchi IDInChI=1S/C21H18ClNO3S/c1-13(15-5-7-16(8-6-15)21(25)26)23-20(24)19-12-27-11-17(19)9-14-3-2-4-18(22)10-14/h2-8,10-13H,9H2,1H3,(H,23,24)(H,25,26)/t13-/m0/s1
PubChem CID24952577
ChEMBLCHEMBL599051
IUPHARN/A
BindingDB50308124
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44515Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
44513Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
44516Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
44511Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
44514Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
44508Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
44509Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
44512Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
44510Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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