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Target
Solute carrier organic anion transporter family member 1B1
Ligand
BDBM50442894
Substrate
n/a
Meas. Tech.
ChEMBL_1265864 (CHEMBL3039490)
Ki
1260±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:
BDBM50442894
Synonyms:
CHEMBL1436860
Type:
Small organic molecule
Emp. Form.:
C40H48O8
Mol. Mass.:
656.8043
SMILES:
[#6]-[#8]-[#6](=O)-[#6](\[#6])=[#6]/[#6]C12[#8]C([#6])([#6])[#6]3-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6])c6-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8]C134)-[#6]2=O |c:25,t:16,TLB:9:8:13.14:17.16,18:17:8.46:13.14,44:45:9.10:46.15.14,7:8:13.14:17.16,THB:16:15:45:9.10,47:46:45:9.10,47:46:13.14:17.16,17:45:9.10:46.15.14,10:13:8.46:17.16|
Structure:
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