Reaction Details |
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Target | Solute carrier organic anion transporter family member 1B3 |
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Ligand | BDBM50442903 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1265867 (CHEMBL3039493) |
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Ki | 530±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 1B3 |
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Name: | Solute carrier organic anion transporter family member 1B3 |
Synonyms: | LST2 | OATP1B3 | OATP8 | Organic Anion Transporter OATP1B3 | SLC21A8 | SLCO1B3 | SO1B3_HUMAN | Solute carrier organic anion transporter family member 1B3 | Solute carrier organic anion transporter family member 1B3 (OATP1B3) |
Type: | Protein |
Mol. Mass.: | 77425.75 |
Organism: | Homo sapiens (Human) |
Description: | Q9NPD5 |
Residue: | 702 |
Sequence: | MDQHQHLNKTAESASSEKKKTRRCNGFKMFLAALSFSYIAKALGGIIMKISITQIERRFD
ISSSLAGLIDGSFEIGNLLVIVFVSYFGSKLHRPKLIGIGCLLMGTGSILTSLPHFFMGY
YRYSKETHINPSENSTSSLSTCLINQTLSFNGTSPEIVEKDCVKESGSHMWIYVFMGNML
RGIGETPIVPLGISYIDDFAKEGHSSLYLGSLNAIGMIGPVIGFALGSLFAKMYVDIGYV
DLSTIRITPKDSRWVGAWWLGFLVSGLFSIISSIPFFFLPKNPNKPQKERKISLSLHVLK
TNDDRNQTANLTNQGKNVTKNVTGFFQSLKSILTNPLYVIFLLLTLLQVSSFIGSFTYVF
KYMEQQYGQSASHANFLLGIITIPTVATGMFLGGFIIKKFKLSLVGIAKFSFLTSMISFL
FQLLYFPLICESKSVAGLTLTYDGNNSVASHVDVPLSYCNSECNCDESQWEPVCGNNGIT
YLSPCLAGCKSSSGIKKHTVFYNCSCVEVTGLQNRNYSAHLGECPRDNTCTRKFFIYVAI
QVINSLFSATGGTTFILLTVKIVQPELKALAMGFQSMVIRTLGGILAPIYFGALIDKTCM
KWSTNSCGAQGACRIYNSVFFGRVYLGLSIALRFPALVLYIVFIFAMKKKFQGKDTKASD
NERKVMDEANLEFLNNGEHFVPSAGTDSKTCNLDMQDNAAAN
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BDBM50442903 |
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n/a |
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Name | BDBM50442903 |
Synonyms: | CHEMBL3039411 |
Type | Small organic molecule |
Emp. Form. | C43H54O18 |
Mol. Mass. | 858.8781 |
SMILES | COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@@]6([C@H](OC(C)=O)[C@@]3(O)C2OC(=O)C(C)C)C2C(C(=O)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)C(OC(C)=O)[C@@H](OC(C)=O)[C@]6(O5)[C@]14C |r,TLB:21:20:59.5:8,13:11:59:20.14.15,15:20:59.5:8,THB:12:11:59:20.14.15,57:59:20.22:8,23:22:59.5:8,4:5:20.22:8,60:59:20.22:8| |
Structure |
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