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Ligand

NameCHEMBL237967
Molecular formulaC29H30F3N3O3
IUPAC name(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]acetic acid
Molecular weight525.572
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.6
SynonymsSCHEMBL5528896
(S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,4,5-trifluorophenyl)acryloyl)piperidin-4-yl)acetic acid
SCHEMBL5533031
BDBM50224496
Inchi KeyCJWPNMMSQZADAG-GFPUREGVSA-N
Inchi IDInChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1
PubChem CID11548199
ChEMBLCHEMBL237967
IUPHARN/A
BindingDB50224496
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
437625-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
437635-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
43761C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
43765C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
43764Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
443406Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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