Reaction Details Report a problem with these data
Target
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Ligand
BDBM50254388
Substrate
n/a
Meas. Tech.
ChEBML_1686350
EC50
>10000±n/a nM
Citation
 Pryde, DC; Marron, BE; West, CW; Reister, S; Amato, G; Yoger, K; Antonio, B; Padilla, K; Cox, PJ; Turner, J; Warmus, JS; Swain, NA; Omoto, K; Mahoney, JH; Gerlach, AC Discovery of a Series of Indazole TRPA1 Antagonists. ACS Med Chem Lett 8:666-671 (2017) [PubMed]  Article 
Target
Name:
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Synonyms:
2.7.1.25 | 2.7.7.4 | APS kinase | ATP-sulfurylase | ATPSK2 | Adenylyl-sulfate kinase | PAPS synthase 2 | PAPS2_HUMAN | PAPSS 2 | PAPSS2 | SAT | SK 2 | SK2 | Sulfate adenylate transferase | Sulfate adenylyltransferase | Sulfurylase kinase 2
Type:
PROTEIN
Mol. Mass.:
69514.02
Organism:
Homo sapiens
Description:
ChEMBL_117395
Residue:
614
Sequence:
MSGIKKQKTENQQKSTNVVYQAHHVSRNKRGQVVGTRGGFRGCTVWLTGLSGAGKTTISFALEEYLVSHAIPCYSLDGDNVRHGLNRNLGFSPGDREENIRRIAEVAKLFADAGLVCITSFISPFAKDRENARKIHESAGLPFFEIFVDAPLNICESRDVKGLYKRARAGEIKGFTGIDSDYEKPETPERVLKTNLSTVSDCVHQVVELLQEQNIVPYTIIKDIHELFVPENKLDHVRAEAETLPSLSITKLDLQWVQVLSEGWATPLKGFMREKEYLQVMHFDTLLDDGVINMSIPIVLPVSAEDKTRLEGCSKFVLAHGGRRVAILRDAEFYEHRKEERCSRVWGTTCTKHPHIKMVMESGDWLVGGDLQVLEKIRWNDGLDQYRLTPLELKQKCKEMNADAVFAFQLRNPVHNGHALLMQDTRRRLLERGYKHPVLLLHPLGGWTKDDDVPLDWRMKQHAAVLEEGVLDPKSTIVAIFPSPMLYAGPTEVQWHCRSRMIAGANFYIVGRDPAGMPHPETKKDLYEPTHGGKVLSMAPGLTSVEIIPFRVAAYNKAKKAMDFYDPARHNEFDFISGTRMRKLAREGENPPDGFMAPKAWKVLTDYYRSLEKN
  
Inhibitor
Name:
BDBM50254388
Synonyms:
CHEMBL4101680
Type:
Small organic molecule
Emp. Form.:
C15H8F3N3O
Mol. Mass.:
303.2387
SMILES:
FC(F)(F)Oc1ccc2c(n[nH]c2c1)-c1ccc(cc1)C#N
Structure:
Search PDB for entries with ligand similarity: