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Ligand

NameCHEMBL477432
Molecular formulaC27H26ClN5O2S
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-thiophen-3-ylbenzamide
Molecular weight520.048
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50412996
Inchi KeyGMBKHKITOVCYNS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26ClN5O2S/c1-18-21(16-33-27(35)25(28)24(15-30-33)32-12-10-29-11-13-32)3-2-4-23(18)31-26(34)20-7-5-19(6-8-20)22-9-14-36-17-22/h2-9,14-15,17,29H,10-13,16H2,1H3,(H,31,34)
PubChem CID25209194
ChEMBLCHEMBL477432
IUPHARN/A
BindingDB50412996
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
99762Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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