bromsulphthalein   Click here for help

GtoPdb Ligand ID: 4506

Abbreviated name: BSP
Synonyms: bromosulfophthalein | BSP | sulfobromophthalein
Compound class: Synthetic organic
Comment: This ligand is represented on ChEMBL by CHEMBL574431.
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]
Isomeric SMILES Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]
InChI InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
InChI Key GHAFORRTMVIXHS-UHFFFAOYSA-L
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
OATP1A2
OATP1B1
OATP1B3
OATP1C1
OATP2B1
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
OATP2A1 Rn Inhibitor Inhibition 5.2 pKi - 1
pKi 5.2 (Ki 5.8x10-6 M) Inhibition of PGF uptake in PGT-expressing HeLa cells [1]