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Target
UDP-glucuronosyltransferase 1A1
Ligand
BDBM372346
Substrate
n/a
Meas. Tech.
ChEMBL_2206509 (CHEMBL5119217)
IC50
3900±n/a nM
Citation
 Regueiro-Ren, A; Sit, SY; Chen, Y; Chen, J; Swidorski, JJ; Liu, Z; Venables, BL; Sin, N; Hartz, RA; Protack, T; Lin, Z; Zhang, S; Li, Z; Wu, DR; Li, P; Kempson, J; Hou, X; Gupta, A; Rampulla, R; Mathur, A; Park, H; Sarjeant, A; Benitex, Y; Rahematpura, S; Parker, D; Phillips, T; Haskell, R; Jenkins, S; Santone, KS; Cockett, M; Hanumegowda, U; Dicker, I; Meanwell, NA; Krystal, M The Discovery of GSK3640254, a Next-Generation Inhibitor of HIV-1 Maturation. J Med Chem 65:11927-11948 (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:
BDBM372346
Synonyms:
Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(1,1-dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)-1-(fluoromethyl)cyclohex-3-enecarboxylic acid via chiral (R)-benzyl 1-(fluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enecarboxylate | US10245275, Example 2b
Type:
Small organic molecule
Emp. Form.:
C43H67FN2O4S
Mol. Mass.:
727.066
SMILES:
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20|
Structure:
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