Reaction Details Report a problem with these data
Target
Tubulin--tyrosine ligase
Ligand
BDBM50293301
Substrate
n/a
Meas. Tech.
ChEMBL_519880 (CHEMBL961245)
Kd
960±n/a nM
Citation
 Dal Piaz, F; Vassallo, A; Lepore, L; Tosco, A; Bader, A; De Tommasi, N Sesterterpenes as tubulin tyrosine ligase inhibitors. First insight of structure-activity relationships and discovery of new lead. J Med Chem 52:3814-28 (2009) [PubMed]  Article 
Target
Name:
Tubulin--tyrosine ligase
Synonyms:
TTL | TTL_HUMAN
Type:
PROTEIN
Mol. Mass.:
43213.30
Organism:
Homo sapiens (Human)
Description:
ChEMBL_519880
Residue:
377
Sequence:
MYTFVVRDENSSVYAEVSRLLLATGHWKRLRRDNPRFNLMLGERNRLPFGRLGHEPGLVQLVNYYRGADKLCRKASLVKLIKTSPELAESCTWFPESYVIYPTNLKTPVAPAQNGIQPPISNSRTDEREFFLASYNRKKEDGEGNVWIAKSSAGAKGEGILISSEASELLDFIDNQGQVHVIQKYLEHPLLLEPGHRKFDIRSWVLVDHQYNIYLYREGVLRTASEPYHVDNFQDKTCHLTNHCIQKEYSKNYGKYEEGNEMFFKEFNQYLTSALNITLESSILLQIKHIIRNCLLSVEPAISTKHLPYQSFQLFGFDFMVDEELKVWLIEVNGAPACAQKLYAELCQGIVDIAISSVFPPPDVEQPQTQPAAFIKL
  
Inhibitor
Name:
BDBM50293301
Synonyms:
8alpha,15(S)-dihydroxy,23alpha-O-ethyl-23,6alpha-epoxy-labd-13(14),17-dien-16(S),19-olide | CHEMBL519500
Type:
Small organic molecule
Emp. Form.:
C27H42O6
Mol. Mass.:
462.6188
SMILES:
CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC\C(C)=C\[C@H](O)[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23 |r,c:22|
Structure:
Search PDB for entries with ligand similarity: