Reaction Details  Report a problem with these data
Target
Solute carrier organic anion transporter family member 1B1
Ligand
BDBM50228403
Substrate
n/a
Meas. Tech.
ChEMBL_1486921 (CHEMBL3536606)
IC50
>100000±n/a nM
Citation
 Ishiguro, N; Shimizu, H; Kishimoto, W; Ebner, T; Schaefer, O Evaluation and prediction of potential drug-drug interactions of linagliptin using in vitro cell culture methods. Drug Metab Dispos 41:149-58 (2012) [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:
BDBM50228403
Synonyms:
(R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione | 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione | CHEMBL237500 | LINAGLIPTIN | US10202383, Example 2(142) | US10358449, Linagliptin | US9255098, Linagliptin | US9321791, 2(142) | US9556175, 2(142)
Type:
Small organic molecule
Emp. Form.:
C25H28N8O2
Mol. Mass.:
472.5422
SMILES:
CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Structure:
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