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Target
Tyrosine-protein phosphatase non-receptor type 1 [1-321]
Ligand
BDBM50050955
Substrate
n/a
Meas. Tech.
Metabolic Measurements
Ki
7000±n/a nM
Citation
 Tonks, N; Krishnan, N Treatment of Rett syndrome US Patent  US11660306 Publication Date 5/30/2023 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 1 [1-321]
Synonyms:
PTN1_HUMAN | PTP1B | PTPN1 | Protein tyrosine phosphatase 1B (PTP1B)
Type:
Enzyme
Mol. Mass.:
37311.71
Organism:
Homo sapiens (Human)
Description:
P18031 (1-321 aa)
Residue:
321
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHN
  
Inhibitor
Name:
BDBM50050955
Synonyms:
2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-carboxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysen-9-yl) ester | 3-O-(3',3'-dimethyl-succinyl)-betulinic acid | 3-O-(3',3'-dimethylsuccinyl)-betulinic acid | 3-O-(3',3'-dimethylsuccinyl)betulinic acid | BEVIRIMAT | CHEMBL404519 | DBS, PA-457 | PA-457 | US11660306, Example bevirimat
Type:
Small organic molecule
Emp. Form.:
C36H56O6
Mol. Mass.:
584.8262
SMILES:
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
Structure:
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