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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

NameCHEMBL3706812
Molecular formulaC27H34FN5O
IUPAC name1-(3H-benzimidazol-5-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
Molecular weight463.601
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.0
SynonymsN/A
Inchi KeyABUUFHZOOKCABN-AWRGLXIESA-N
Inchi IDInChI=1S/C27H34FN5O/c28-22-9-7-19(8-10-22)14-20-4-3-13-33(16-20)17-21-5-1-2-6-24(21)32-27(34)31-23-11-12-25-26(15-23)30-18-29-25/h7-12,15,18,20-21,24H,1-6,13-14,16-17H2,(H,29,30)(H2,31,32,34)/t20-,21-,24+/m0/s1
PubChem CID11213416
ChEMBLCHEMBL3706812
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
463108C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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