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Target
Solute carrier organic anion transporter family member 1B3
Ligand
BDBM50442908
Substrate
n/a
Meas. Tech.
ChEMBL_1265867 (CHEMBL3039493)
Ki
1770±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:
BDBM50442908
Synonyms:
CHEMBL1314749
Type:
Small organic molecule
Emp. Form.:
C38H54O8
Mol. Mass.:
638.8306
SMILES:
CC(C)CCCC1(C)Oc2c(CCC(C)C)c3OC45C6CC(CC4C(=O)c3c(O)c2C=C1)C(O)C5(CCC(C)C(O)=O)OC6(C)C |c:33,TLB:42:34:19.20:23.22,22:21:18:42.43,24:23:34.32:19.20,33:32:18:42.43,35:34:19.20:23.22,23:18:42.43:32.21.20,THB:17:18:42.43:32.21.20,33:32:19.20:23.22,43:19:34.32:23.22|
Structure:
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