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Target
Solute carrier organic anion transporter family member 1B3
Ligand
BDBM50005106
Substrate
n/a
Meas. Tech.
ChEMBL_1265867 (CHEMBL3039493)
Ki
1550±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:
Human
Description:
Q9NPD5
Residue:
702
Sequence:
MDQHQHLNKTAESASSEKKKTRRCNGFKMFLAALSFSYIAKALGGIIMKISITQIERRFDISSSLAGLIDGSFEIGNLLVIVFVSYFGSKLHRPKLIGIGCLLMGTGSILTSLPHFFMGYYRYSKETHINPSENSTSSLSTCLINQTLSFNGTSPEIVEKDCVKESGSHMWIYVFMGNMLRGIGETPIVPLGISYIDDFAKEGHSSLYLGSLNAIGMIGPVIGFALGSLFAKMYVDIGYVDLSTIRITPKDSRWVGAWWLGFLVSGLFSIISSIPFFFLPKNPNKPQKERKISLSLHVLKTNDDRNQTANLTNQGKNVTKNVTGFFQSLKSILTNPLYVIFLLLTLLQVSSFIGSFTYVFKYMEQQYGQSASHANFLLGIITIPTVATGMFLGGFIIKKFKLSLVGIAKFSFLTSMISFLFQLLYFPLICESKSVAGLTLTYDGNNSVASHVDVPLSYCNSECNCDESQWEPVCGNNGITYLSPCLAGCKSSSGIKKHTVFYNCSCVEVTGLQNRNYSAHLGECPRDNTCTRKFFIYVAIQVINSLFSATGGTTFILLTVKIVQPELKALAMGFQSMVIRTLGGILAPIYFGALIDKTCMKWSTNSCGAQGACRIYNSVFFGRVYLGLSIALRFPALVLYIVFIFAMKKKFQGKDTKASDNERKVMDEANLEFLNNGEHFVPSAGTDSKTCNLDMQDNAAAN
  
Inhibitor
Name:
BDBM50005106
Synonyms:
BRL-1702 | CHEBI:52019 | DICLOXACILLIN SODIUM | Dycill | Dynapen | P-1011 | Pathocil
Type:
Small organic molecule
Emp. Form.:
C19H18Cl2N3NaO6S
Mol. Mass.:
510.323
SMILES:
O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O |r,wU:12.12,wD:8.31,3.0,(6.98,-14.68,;16.02,-15.01,;11.59,-9.06,;11.6,-10.6,;13.07,-10.12,;13.98,-11.39,;15.12,-10.34,;15.12,-12.4,;13.07,-12.62,;11.6,-12.13,;10.06,-12.13,;9,-13.24,;10.06,-10.6,;8.75,-9.85,;7.4,-10.58,;7.39,-12.12,;6.06,-9.82,;4.82,-10.74,;4.81,-12.26,;3.59,-9.8,;4.05,-8.34,;5.61,-8.35,;6.37,-7.01,;7.92,-7.01,;8.7,-8.35,;8.67,-5.69,;7.91,-4.36,;6.37,-4.35,;5.61,-5.69,;4.06,-5.66,;13.11,-14.17,;14.47,-14.9,;11.8,-14.97,)|
Structure:
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