Reaction Details  Report a problem with these data
Target
UDP-glucuronosyltransferase 1A1
Ligand
BDBM50523559
Substrate
n/a
Meas. Tech.
ChEMBL_1890700 (CHEMBL4392454)
IC50
2500±n/a nM
Citation
 A M Subbaiah, M; Mandlekar, S; Desikan, S; Ramar, T; Subramani, L; Annadurai, M; Desai, SD; Sinha, S; Jenkins, SM; Krystal, MR; Subramanian, M; Sridhar, S; Padmanabhan, S; Bhutani, P; Arla, R; Singh, S; Sinha, J; Thakur, M; Kadow, JF; Meanwell, NA Design, Synthesis, and Pharmacokinetic Evaluation of Phosphate and Amino Acid Ester Prodrugs for Improving the Oral Bioavailability of the HIV-1 Protease Inhibitor Atazanavir. J Med Chem 62:3553-3574 (2019) [PubMed]  Article
Target
Name:
UDP-glucuronosyltransferase 1A1
Synonyms:
Bilirubin-specific UDPGT isozyme 1 | GNT1 | UD11_HUMAN | UDP-glucuronosyltransferase 1-1 | UDP-glucuronosyltransferase 1-A | UDP-glucuronosyltransferase 1A1 | UDPGT 1-1 | UGT-1A | UGT1 | UGT1*1 | UGT1-01 | UGT1.1 | UGT1A | UGT1A1 | Uridine-5'-diphosphoglucuronosyltransferase 1A1 | hUG-BR1
Type:
Enzyme
Mol. Mass.:
59604.34
Organism:
Homo sapiens (Human)
Description:
P22309
Residue:
533
Sequence:
MAVESQGGRPLVLGLLLCVLGPVVSHAGKILLIPVDGSHWLSMLGAIQQLQQRGHEIVVLAPDASLYIRDGAFYTLKTYPVPFQREDVKESFVSLGHNVFENDSFLQRVIKTYKKIKKDSAMLLSGCSHLLHNKELMASLAESSFDVMLTDPFLPCSPIVAQYLSLPTVFFLHALPCSLEFEATQCPNPFSYVPRPLSSHSDHMTFLQRVKNMLIAFSQNFLCDVVYSPYATLASEFLQREVTVQDLLSSASVWLFRSDFVKDYPRPIMPNMVFVGGINCLHQNPLSQEFEAYINASGEHGIVVFSLGSMVSEIPEKKAMAIADALGKIPQTVLWRYTGTRPSNLANNTILVKWLPQNDLLGHPMTRAFITHAGSHGVYESICNGVPMVMMPLFGDQMDNAKRMETKGAGVTLNVLEMTSEDLENALKAVINDKSYKENIMRLSSLHKDRPVEPLDLAVFWVEFVMRHKGAPHLRPAAHDLTWYQYHSLDVIGFLLAVVLTVAFITFKCCAYGYRKCLGKKGRVKKAHKSKTH
  
Inhibitor
Name:
BDBM50523559
Synonyms:
CHEMBL4573907
Type:
Small organic molecule
Emp. Form.:
C47H61N7O8
Mol. Mass.:
852.0293
SMILES:
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C |r|
Structure:
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