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Target
Solute carrier organic anion transporter family member 1B3
Ligand
BDBM50442888
Substrate
n/a
Meas. Tech.
ChEMBL_1265867 (CHEMBL3039493)
Ki
560±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:
BDBM50442888
Synonyms:
CHEMBL3039293
Type:
Small organic molecule
Emp. Form.:
C43H58O16
Mol. Mass.:
830.911
SMILES:
CO[C@@H]1C(OC(=O)C(C)C)[C@@]2(C)[C@@H](OC(=O)\C(C2[C@]23OC4(C)O[C@]12[C@]1(C)[C@@H](CC(=O)OC)C2(C)CC1(O4)[C@](OC)(C2OC(C)=O)[C@H]3OC)=C(/OC)C(C)C)c1ccoc1 |r,TLB:41:40:24.26:34,21:20:24:37.18.45,THB:23:24:37.40:34,19:20:24:37.18.45,38:37:24.26:34,25:24:37.40:34,45:37:24.26:34,27:26:37.40:34|
Structure:
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