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Target
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3
Ligand
BDBM114223
Substrate
n/a
Meas. Tech.
Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of phospholipase C isozymes (PLC-B3)
IC50
122451±n/a nM
Citation
 PubChem, PC Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of phospholipase C isozymes (PLC-B3) PubChem Bioassay (2014)[AID] 
Target
Name:
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3
Synonyms:
PLCB3 | PLCB3_HUMAN | Phospholipase C, beta 3 (phosphatidylinositol-specific) | Phospholipase C-beta-3
Type:
PROTEIN
Mol. Mass.:
138786.29
Organism:
Homo sapiens (Human)
Description:
EBI_12586
Residue:
1234
Sequence:
MAGAQPGVHALQLEPPTVVETLRRGSKFIKWDEETSSRNLVTLRVDPNGFFLYWTGPNMEVDTLDISSIRDTRTGRYARLPKDPKIREVLGFGGPDARLEEKLMTVVSGPDPVNTVFLNFMAVQDDTAKVWSEELFKLAMNILAQNASRNTFLRKAYTKLKLQVNQDGRIPVKNILKMFSADKKRVETALESCGLKFNRSESIRPDEFSLEIFERFLNKLCLRPDIDKILLEIGAKGKPYLTLEQLMDFINQKQRDPRLNEVLYPPLRPSQARLLIEKYEPNQQFLERDQMSMEGFSRYLGGEENGILPLEALDLSTDMTQPLSAYFINSSHNTYLTAGQLAGTSSVEMYRQALLWGCRCVELDVWKGRPPEEEPFITHGFTMTTEVPLRDVLEAIAETAFKTSPYPVILSFENHVDSAKQQAKMAEYCRSIFGDALLIEPLDKYPLAPGVPLPSPQDLMGRILVKNKKRHRPSAGGPDSAGRKRPLEQSNSALSESSAATEPSSPQLGSPSSDSCPGLSNGEEVGLEKPSLEPQKSLGDEGLNRGPYVLGPADREDEEEDEEEEEQTDPKKPTTDEGTASSEVNATEEMSTLVNYIEPVKFKSFEAARKRNKCFEMSSFVETKAMEQLTKSPMEFVEYNKQQLSRIYPKGTRVDSSNYMPQLFWNVGCQLVALNFQTLDVAMQLNAGVFEYNGRSGYLLKPEFMRRPDKSFDPFTEVIVDGIVANALRVKVISGQFLSDRKVGIYVEVDMFGLPVDTRRKYRTRTSQGNSFNPVWDEEPFDFPKVVLPTLASLRIAAFEEGGKFVGHRILPVSAIRSGYHYVCLRNEANQPLCLPALLIYTEASDYIPDDHQDYAEALINPIKHVSLMDQRARQLAALIGESEAQAGQETCQDTQSQQLGSQPSSNPTPSPLDASPRRPPGPTTSPASTSLSSPGQRDDLIASILSEVAPTPLDELRGHKALVKLRSRQERDLRELRKKHQRKAVTLTRRLLDGLAQAQAEGRCRLRPGALGGAADVEDTKEGEDEAKRYQEFQNRQVQSLLELREAQVDAEAQRRLEHLRQALQRLREVVLDANTTQFKRLKEMNEREKKELQKILDRKRHNSISEAKMRDKHKKEAELTEINRRHITESVNSIRRLEEAQKQRHDRLVAGQQQVLQQLAEEEPKLLAQLAQECQEQRARLPQEIRRSLLGEMPEGLGDGPLVACASNGHAPGSSGHLSGADSESQEENTQL
  
Inhibitor
Name:
BDBM114223
Synonyms:
2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester | 2-[[5-[(2-keto-1,3-benzothiazol-3-yl)methyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester | MLS000118628 | SMR000095569 | cid_5308591 | ethyl 2-[[4-(2-methylphenyl)-5-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate | ethyl 2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Type:
Small organic molecule
Emp. Form.:
C21H20N4O3S2
Mol. Mass.:
440.538
SMILES:
CCOC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1C |(18.96,3.28,;17.46,3.6,;16.43,2.46,;14.92,2.78,;14.45,4.24,;13.89,1.64,;12.38,1.96,;11.35,.82,;11.67,-.69,;10.33,-1.46,;9.19,-.43,;7.68,-.74,;7.2,-2.21,;5.75,-2.68,;4.41,-1.91,;3.08,-2.68,;3.08,-4.22,;4.41,-4.99,;5.75,-4.22,;7.2,-4.68,;8.1,-3.45,;9.64,-3.45,;9.82,.98,;9.05,2.32,;7.51,2.32,;6.74,3.65,;7.52,4.99,;9.06,4.98,;9.82,3.65,;11.36,3.65,)|
Structure:
Search PDB for entries with ligand similarity: