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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

NameUNII-PON9OFP69G
Molecular formulaC25H32FN7O2
IUPAC name1-[(2R,3S)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxybutan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Molecular weight481.576
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.9
SynonymsPON9OFP69G
BMS-639623
Urea, N-((1R,2S)-3-((3S)-3-((4-fluorophenyl)methyl)-1-piperidinyl)-2-hydroxy-1-methylpropyl)-N'-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)-
JTVSGNGYUGCQJP-FHJLPGHOSA-N
1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl)-3-hydroxybutan-2-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
[ Show all ]
Inchi KeyJTVSGNGYUGCQJP-FHJLPGHOSA-N
Inchi IDInChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1
PubChem CID10050884
ChEMBLCHEMBL399495
IUPHARN/A
BindingDB50231358
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
159831C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
159833C-C chemokine receptor type 3Q9BDS8CCR3Macaca fascicularis (Crab-eating macaque)355
159832Probable C-C chemokine receptor type 3P51678Ccr3Mus musculus (Mouse)359

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