| Reaction Details |
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 | Report a problem with these data |
| Target | Solute carrier organic anion transporter family member 1B1 |
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| Ligand | BDBM50442878 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1265864 (CHEMBL3039490) |
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| Ki | 780±n/a nM |
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| Citation |  De Bruyn, T; van Westen, GJ; Ijzerman, AP; Stieger, B; de Witte, P; Augustijns, PF; Annaert, PP Structure-based identification of OATP1B1/3 inhibitors. Mol Pharmacol83:1257-67 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Solute carrier organic anion transporter family member 1B1 |
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| Name: | Solute carrier organic anion transporter family member 1B1 |
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| Synonyms: | LST1 | OATP1B1 | OATP2 | OATPC | SLC21A6 | SLCO1B1 | SO1B1_HUMAN | Solute carrier organic anion transporter family member 1B1 | Solute carrier organic anion transporter family member 1B1 (OATP1B1) | Thromboxane B2 |
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| Type: | Protein |
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| Mol. Mass.: | 76468.06 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9Y6L6 |
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| Residue: | 691 |
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| Sequence: | MDQNQHLNKTAEAQPSENKKTRYCNGLKMFLAALSLSFIAKTLGAIIMKSSIIHIERRFE
ISSSLVGFIDGSFEIGNLLVIVFVSYFGSKLHRPKLIGIGCFIMGIGGVLTALPHFFMGY
YRYSKETNINSSENSTSTLSTCLINQILSLNRASPEIVGKGCLKESGSYMWIYVFMGNML
RGIGETPIVPLGLSYIDDFAKEGHSSLYLGILNAIAMIGPIIGFTLGSLFSKMYVDIGYV
DLSTIRITPTDSRWVGAWWLNFLVSGLFSIISSIPFFFLPQTPNKPQKERKASLSLHVLE
TNDEKDQTANLTNQGKNITKNVTGFFQSFKSILTNPLYVMFVLLTLLQVSSYIGAFTYVF
KYVEQQYGQPSSKANILLGVITIPIFASGMFLGGYIIKKFKLNTVGIAKFSCFTAVMSLS
FYLLYFFILCENKSVAGLTMTYDGNNPVTSHRDVPLSYCNSDCNCDESQWEPVCGNNGIT
YISPCLAGCKSSSGNKKPIVFYNCSCLEVTGLQNRNYSAHLGECPRDDACTRKFYFFVAI
QVLNLFFSALGGTSHVMLIVKIVQPELKSLALGFHSMVIRALGGILAPIYFGALIDTTCI
KWSTNNCGTRGSCRTYNSTSFSRVYLGLSSMLRVSSLVLYIILIYAMKKKYQEKDINASE
NGSVMDEANLESLNKNKHFVPSAGADSETHC
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| BDBM50442878 |
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| n/a |
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| Name | BDBM50442878 |
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| Synonyms: | Beta-Escin |
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| Type | Small organic molecule |
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| Emp. Form. | C54H84O24 |
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| Mol. Mass. | 1117.2304 |
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| SMILES | [H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)[C@]4([H])CC=C4C6CC(C)(C)[C@@H](OC(=O)C(\C)=C\C)[C@H](OC(C)=O)[C@]6(CO)[C@H](O)C[C@]54C)[C@H]3CO)O[C@@H]2C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:38| |
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| Structure | 
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