Reaction Details Report a problem with these data
Target
Solute carrier organic anion transporter family member 1B1
Ligand
BDBM50442902
Substrate
n/a
Meas. Tech.
ChEMBL_1265864 (CHEMBL3039490)
Ki
540±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 1B1
Synonyms:
LST1 | OATP1B1 | OATP2 | OATPC | SLC21A6 | SLCO1B1 | SO1B1_HUMAN | Solute carrier organic anion transporter family member 1B1 | Solute carrier organic anion transporter family member 1B1 (OATP1B1) | Thromboxane B2
Type:
Protein
Mol. Mass.:
76468.06
Organism:
Homo sapiens (Human)
Description:
Q9Y6L6
Residue:
691
Sequence:
MDQNQHLNKTAEAQPSENKKTRYCNGLKMFLAALSLSFIAKTLGAIIMKSSIIHIERRFEISSSLVGFIDGSFEIGNLLVIVFVSYFGSKLHRPKLIGIGCFIMGIGGVLTALPHFFMGYYRYSKETNINSSENSTSTLSTCLINQILSLNRASPEIVGKGCLKESGSYMWIYVFMGNMLRGIGETPIVPLGLSYIDDFAKEGHSSLYLGILNAIAMIGPIIGFTLGSLFSKMYVDIGYVDLSTIRITPTDSRWVGAWWLNFLVSGLFSIISSIPFFFLPQTPNKPQKERKASLSLHVLETNDEKDQTANLTNQGKNITKNVTGFFQSFKSILTNPLYVMFVLLTLLQVSSYIGAFTYVFKYVEQQYGQPSSKANILLGVITIPIFASGMFLGGYIIKKFKLNTVGIAKFSCFTAVMSLSFYLLYFFILCENKSVAGLTMTYDGNNPVTSHRDVPLSYCNSDCNCDESQWEPVCGNNGITYISPCLAGCKSSSGNKKPIVFYNCSCLEVTGLQNRNYSAHLGECPRDDACTRKFYFFVAIQVLNLFFSALGGTSHVMLIVKIVQPELKSLALGFHSMVIRALGGILAPIYFGALIDTTCIKWSTNNCGTRGSCRTYNSTSFSRVYLGLSSMLRVSSLVLYIILIYAMKKKYQEKDINASENGSVMDEANLESLNKNKHFVPSAGADSETHC
  
Inhibitor
Name:
BDBM50442902
Synonyms:
CHEMBL3138712
Type:
Small organic molecule
Emp. Form.:
C30H40O9
Mol. Mass.:
544.6332
SMILES:
[H][C@]12O[C@@]11[C@](C)(CC[C@]3([H])[C@@]4(C)[C@H](C[C@@H](OC(C)=O)C(C)(C)[C@]4([H])C[C@@H](O)[C@]13C)OC(C)=O)[C@H](OC2=O)c1ccoc1 |r|
Structure:
Search PDB for entries with ligand similarity: