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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameSCHEMBL2767107
Molecular formulaC27H35N5O
IUPAC name1-[(4-cyanophenyl)methyl]-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]piperidine-4-carboxamide
Molecular weight445.611
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsCHEMBL2364305
Inchi KeyDEGFRWDZKYNNIP-NRFANRHFSA-N
Inchi IDInChI=1S/C27H35N5O/c1-21-18-32(16-13-29-21)20-24-7-9-26(10-8-24)30(2)27(33)25-11-14-31(15-12-25)19-23-5-3-22(17-28)4-6-23/h3-10,21,25,29H,11-16,18-20H2,1-2H3/t21-/m0/s1
PubChem CID23728734
ChEMBLCHEMBL2364305
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
57736Motilin receptorO43193MLNRHomo sapiens (Human)412

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