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Target
UDP-glucuronosyltransferase 1A1
Ligand
BDBM13934
Substrate
n/a
Meas. Tech.
ChEMBL_2228974 (CHEMBL5142487)
IC50
600±n/a nM
Citation
 A M Subbaiah, M; Subramani, L; Ramar, T; Desai, S; Sinha, S; Mandlekar, S; Kadow, JF; Jenkins, S; Krystal, M; Subramanian, M; Sridhar, S; Padmanabhan, S; Bhutani, P; Arla, R; Meanwell, NA Improving Drug Delivery While Tailoring Prodrug Activation to Modulate  J Med Chem 65:11150-11176 (2022) [PubMed] 
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:
BDBM13934
Synonyms:
Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 | Latazanavir | US10806794, Compound Atazanavir | methyl N-[(1S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenyl-butan-2-yl]carbamoyl]-2,2-dimethyl-propyl]carbamate | methyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-4-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-N'-{[4-(pyridin-2-yl)phenyl]methyl}butanehydrazido]-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C38H52N6O7
Mol. Mass.:
704.8555
SMILES:
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r|
Structure:
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