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Ligand

NameCHEMBL284010
Molecular formulaC32H40F2N2O4
IUPAC name4-[1-[[(3S,4S)-1-[(1R)-1-carboxy-2-cyclopropylethyl]-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]-2-(4-fluorophenyl)butanoic acid
Molecular weight554.679
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.7
SynonymsBDBM50121839
4-{1-[(S)-1-(1-Carboxy-2-cyclopropyl-ethyl)-4-((R)-3-fluoro-phenyl)-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-2-(4-fluoro-phenyl)-butyric acid
Inchi KeyADFRLQLNMJKEBV-XNUHKXAHSA-N
Inchi IDInChI=1S/C32H40F2N2O4/c33-26-9-7-23(8-10-26)28(31(37)38)11-6-21-12-14-35(15-13-21)18-25-19-36(30(32(39)40)16-22-4-5-22)20-29(25)24-2-1-3-27(34)17-24/h1-3,7-10,17,21-22,25,28-30H,4-6,11-16,18-20H2,(H,37,38)(H,39,40)/t25-,28?,29+,30+/m0/s1
PubChem CID44273850
ChEMBLCHEMBL284010
IUPHARN/A
BindingDB50121839
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
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GLASS IDNameUniProtGeneSpeciesLength
2235C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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