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Ligand

NameCHEMBL463881
Molecular formulaC30H36FN5O
IUPAC name[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridin-2-yl]-[4-(3-fluoroanilino)piperidin-1-yl]methanone
Molecular weight501.65
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50412531
SCHEMBL5131588
Inchi KeyBIWJKJXYGNNLAQ-SZPZYZBQSA-N
Inchi IDInChI=1S/C30H36FN5O/c1-21-18-35(19-22(2)33-21)20-23-8-10-24(11-9-23)28-7-4-14-32-29(28)30(37)36-15-12-26(13-16-36)34-27-6-3-5-25(31)17-27/h3-11,14,17,21-22,26,33-34H,12-13,15-16,18-20H2,1-2H3/t21-,22+
PubChem CID16040940
ChEMBLCHEMBL463881
IUPHARN/A
BindingDB50412531
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
24775Motilin receptorO43193MLNRHomo sapiens (Human)412

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