Reaction Details Report a problem with these data
Target
Solute carrier organic anion transporter family member 1B3
Ligand
BDBM50442865
Substrate
n/a
Meas. Tech.
ChEMBL_1265867 (CHEMBL3039493)
Ki
130±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:
BDBM50442865
Synonyms:
Sarsasapogenin
Type:
Small organic molecule
Emp. Form.:
C27H44O3
Mol. Mass.:
416.6365
SMILES:
[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2 |r|
Structure:
Search PDB for entries with ligand similarity: