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Ligand

NameCHEMBL2069579
Molecular formulaC25H22N4O3S
IUPAC name3-[[(2S)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzoic acid
Molecular weight458.536
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.1
SynonymsBDBM50390599
SCHEMBL6032428
Inchi KeyAFWNZGMHIZENTJ-QHCPKHFHSA-N
Inchi IDInChI=1S/C25H22N4O3S/c30-24(23(10-17-4-2-1-3-5-17)27-14-22-15-33-16-28-22)29-21-12-19(11-20(13-21)25(31)32)18-6-8-26-9-7-18/h1-9,11-13,15-16,23,27H,10,14H2,(H,29,30)(H,31,32)/t23-/m0/s1
PubChem CID69643233
ChEMBLCHEMBL2069579
IUPHARN/A
BindingDB50390599
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
4563Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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