Reaction Details |
| Report a problem with these data |
Target | Solute carrier organic anion transporter family member 1B1 |
---|
Ligand | BDBM50442886 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1265864 (CHEMBL3039490) |
---|
Ki | 1100±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 Pharmacol83:1257-67 (2013) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Solute carrier organic anion transporter family member 1B1 |
---|
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: | MDQNQHLNKTAEAQPSENKKTRYCNGLKMFLAALSLSFIAKTLGAIIMKSSIIHIERRFE
ISSSLVGFIDGSFEIGNLLVIVFVSYFGSKLHRPKLIGIGCFIMGIGGVLTALPHFFMGY
YRYSKETNINSSENSTSTLSTCLINQILSLNRASPEIVGKGCLKESGSYMWIYVFMGNML
RGIGETPIVPLGLSYIDDFAKEGHSSLYLGILNAIAMIGPIIGFTLGSLFSKMYVDIGYV
DLSTIRITPTDSRWVGAWWLNFLVSGLFSIISSIPFFFLPQTPNKPQKERKASLSLHVLE
TNDEKDQTANLTNQGKNITKNVTGFFQSFKSILTNPLYVMFVLLTLLQVSSYIGAFTYVF
KYVEQQYGQPSSKANILLGVITIPIFASGMFLGGYIIKKFKLNTVGIAKFSCFTAVMSLS
FYLLYFFILCENKSVAGLTMTYDGNNPVTSHRDVPLSYCNSDCNCDESQWEPVCGNNGIT
YISPCLAGCKSSSGNKKPIVFYNCSCLEVTGLQNRNYSAHLGECPRDDACTRKFYFFVAI
QVLNLFFSALGGTSHVMLIVKIVQPELKSLALGFHSMVIRALGGILAPIYFGALIDTTCI
KWSTNNCGTRGSCRTYNSTSFSRVYLGLSSMLRVSSLVLYIILIYAMKKKYQEKDINASE
NGSVMDEANLESLNKNKHFVPSAGADSETHC
|
|
|
BDBM50442886 |
---|
n/a |
---|
Name | BDBM50442886 |
Synonyms: | CHEMBL3137741 |
Type | Small organic molecule |
Emp. Form. | C38H48O8 |
Mol. Mass. | 632.7829 |
SMILES | [H][C@@]12[#6][C@@]3([H])[#6]-[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3-[#8] |c:13,TLB:32:33:42.43:46.3.2,47:46:6.5:1.2,5:3:33:42.43,THB:6:33:42.43:46.3.2,7:6:34.46:1.2,35:34:6.5:1.2,47:46:33:42.43,43:1:6.5:34.46| |
Structure |
|