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Ligand

NameCHEMBL2431065
Molecular formulaC23H22N6O3S
IUPAC name2-[5-[[(2S)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanoyl]amino]-3-pyridin-4-ylpyrazol-1-yl]acetic acid
Molecular weight462.528
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP-0.1
SynonymsBDBM50440705
Inchi KeyJEVGMOQOJSHBAO-FQEVSTJZSA-N
Inchi IDInChI=1S/C23H22N6O3S/c30-22(31)14-29-21(11-19(28-29)17-6-8-24-9-7-17)27-23(32)20(10-16-4-2-1-3-5-16)26-13-18-12-25-15-33-18/h1-9,11-12,15,20,26H,10,13-14H2,(H,27,32)(H,30,31)/t20-/m0/s1
PubChem CID73346305
ChEMBLCHEMBL2431065
IUPHARN/A
BindingDB50440705
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
149223Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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