Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1 [1-405]
Ligand
BDBM50241956
Substrate
n/a
Meas. Tech.
Metabolic Measurements
Ki
4000±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 [1-405]
Synonyms:
PTN1_HUMAN | PTP1B | PTPN1
Type:
n/a
Mol. Mass.:
46535.71
Organism:
Homo sapiens (Human)
Description:
P18031[1-405]
Residue:
405
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYGIESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSY
  
Inhibitor
Name:
BDBM50241956
Synonyms:
(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol | CHEMBL455357 | US11660306, Example amyrin | alpha-amyrin | urs-12-en-3beta-ol
Type:
Small organic molecule
Emp. Form.:
C30H50O
Mol. Mass.:
426.7174
SMILES:
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C |r,c:10|
Structure:
Search PDB for entries with ligand similarity: