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Target
Solute carrier organic anion transporter family member 1B3
Ligand
BDBM50442867
Substrate
n/a
Meas. Tech.
ChEMBL_1265867 (CHEMBL3039493)
Ki
1730±n/a nM
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 Pharmacol 83:1257-67 (2013) [PubMed]  Article 
Target
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:
MDQHQHLNKTAESASSEKKKTRRCNGFKMFLAALSFSYIAKALGGIIMKISITQIERRFDISSSLAGLIDGSFEIGNLLVIVFVSYFGSKLHRPKLIGIGCLLMGTGSILTSLPHFFMGYYRYSKETHINPSENSTSSLSTCLINQTLSFNGTSPEIVEKDCVKESGSHMWIYVFMGNMLRGIGETPIVPLGISYIDDFAKEGHSSLYLGSLNAIGMIGPVIGFALGSLFAKMYVDIGYVDLSTIRITPKDSRWVGAWWLGFLVSGLFSIISSIPFFFLPKNPNKPQKERKISLSLHVLKTNDDRNQTANLTNQGKNVTKNVTGFFQSLKSILTNPLYVIFLLLTLLQVSSFIGSFTYVFKYMEQQYGQSASHANFLLGIITIPTVATGMFLGGFIIKKFKLSLVGIAKFSFLTSMISFLFQLLYFPLICESKSVAGLTLTYDGNNSVASHVDVPLSYCNSECNCDESQWEPVCGNNGITYLSPCLAGCKSSSGIKKHTVFYNCSCVEVTGLQNRNYSAHLGECPRDNTCTRKFFIYVAIQVINSLFSATGGTTFILLTVKIVQPELKALAMGFQSMVIRTLGGILAPIYFGALIDKTCMKWSTNSCGAQGACRIYNSVFFGRVYLGLSIALRFPALVLYIVFIFAMKKKFQGKDTKASDNERKVMDEANLEFLNNGEHFVPSAGTDSKTCNLDMQDNAAAN
  
Inhibitor
Name:
BDBM50442867
Synonyms:
CHEMBL1456870
Type:
Small organic molecule
Emp. Form.:
C38H46O9
Mol. Mass.:
646.7664
SMILES:
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#8]-c2c(-[#6]\[#6]=[#6](/[#6])-[#6])c3-[#8]C45[#6](-[#6]-[#6]-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)C([#6])([#6])[#8][C@@]5([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)[#6](-[#8])=O |c:22,33|
Structure:
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