Target
UDP-glucuronosyltransferase 1A4
Ligand
BDBM50001839
Substrate
Midazolam
Meas. Tech.
UDP-glucuronosyltransferase Activity Assay
IC50
4.9e+3± 3e+2 nM
Citation
 Liu, YShe, MWu, ZDai, R The inhibition study of human UDP-glucuronosyltransferases with cytochrome P450 selective substrates and inhibitors. J Enzyme Inhib Med Chem 26:386-93 (2011) [PubMed]  Article 
Target
Name:
UDP-glucuronosyltransferase 1A4
Synonyms:
Bilirubin-specific UDPGT isozyme 2 | GNT1 | GNT1 | UD14_HUMAN | UDP-glucuronosyltransferase 1-4 | UDP-glucuronosyltransferase 1-D | UDP-glucuronosyltransferase 1A4 | UDPGT 1-4 | UGT-1D | UGT1 | UGT1*4 | UGT1-04 | UGT1.4 | UGT1A4 | UGT1D | Uridine-5'-diphosphoglucuronosyltransferase 1A4 | hUG-BR2
Type:
Enzyme
Mol. Mass.:
60042.50
Organism:
Homo sapiens (Human)
Description:
P22310
Residue:
534
Sequence:
MARGLQVPLPRLATGLLLLLSVQPWAESGKVLVVPTDGSPWLSMREALRELHARGHQAVVLTPEVNMHIKEEKFFTLTAYAVPWTQKEFDRVTLGYTQGFFETEHLLKRYSRSMAIMNNVSLALHRCCVELLHNEALIRHLNATSFDVVLTDPVNLCGAVLAKYLSIPAVFFWRYIPCDLDFKGTQCPNPSSYIPKLLTTNSDHMTFLQRVKNMLYPLALSYICHTFSAPYASLASELFQREVSVVDLVSYASVWLFRGDFVMDYPRPIMPNMVFIGGINCANGKPLSQEFEAYINASGEHGIVVFSLGSMVSEIPEKKAMAIADALGKIPQTVLWRYTGTRPSNLANNTILVKWLPQNDLLGHPMTRAFITHAGSHGVYESICNGVPMVMMPLFGDQMDNAKRMETKGAGVTLNVLEMTSEDLENALKAVINDKSYKENIMRLSSLHKDRPVEPLDLAVFWVEFVMRHKGAPHLRPAAHDLTWYQYHSLDVIGFLLAVVLTVAFITFKCCAYGYRKCLGKKGRVKKAHKSKTH
  
Inhibitor
Name:
BDBM50001839
Synonyms:
CHEMBL428647 | PACLITAXEL | taxol
Type:
Small organic molecule
Emp. Form.:
C47H51NO14
Mol. Mass.:
853.9061
SMILES:
CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21363
Synonyms:
12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene | 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine | CHEMBL655 | Dormicum | Midazolam | Ro 21-3981 | US20230416258, Compound Midazolam
Type:
Small organic molecule
Emp. Form.:
C18H13ClFN3
Mol. Mass.:
325.767
SMILES:
Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:6|
Structure:
Search PDB for entries with ligand similarity: