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Ligand

NameCHEMBL434161
Molecular formulaC20H25N3O2S
IUPAC name(2R)-2-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-2-cyclohexylethanone
Molecular weight371.499
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsN/A
Inchi KeyBOGRGBJASHXDLV-DOTOQJQBSA-N
Inchi IDInChI=1S/C20H25N3O2S/c21-17(13-7-2-1-3-8-13)20(25)23-12-6-10-15(23)18(24)19-22-14-9-4-5-11-16(14)26-19/h4-5,9,11,13,15,17H,1-3,6-8,10,12,21H2/t15-,17+/m0/s1
PubChem CID44395443
ChEMBLN/A
IUPHARN/A
BindingDB50155311
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
536722C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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