Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 6
Ligand
BDBM50098803
Substrate
n/a
Meas. Tech.
ChEMBL_1456028 (CHEMBL3366412)
Kd
>15000±n/a nM
Citation
 Qian, Z; Dougherty, PG; Liu, T; Oottikkal, S; Hogan, PG; Hadad, CM; Pei, D Structure-based optimization of a peptidyl inhibitor against calcineurin-nuclear factor of activated T cell (NFAT) interaction. J Med Chem 57:7792-7 (2014) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 6
Synonyms:
HCP | PTN6_HUMAN | PTP1C | PTPN6 | Protein tyrosine phosphatase SHP-1 (SHP-1) | Protein-tyrosine phosphatase 1C | Protein-tyrosine phosphatase SHP-1 | Src homology phosphatase 1 (SHP-1) | Tyrosine-protein phosphatase non-receptor type 6 | Tyrosine-protein phosphatase non-receptor type 6 (SHP1)
Type:
Protein
Mol. Mass.:
67570.41
Organism:
Homo sapiens (Human)
Description:
P29350
Residue:
595
Sequence:
MVRWFHRDLSGLDAETLLKGRGVHGSFLARPSRKNQGDFSLSVRVGDQVTHIRIQNSGDFYDLYGGEKFATLTELVEYYTQQQGVLQDRDGTIIHLKYPLNCSDPTSERWYHGHMSGGQAETLLQAKGEPWTFLVRESLSQPGDFVLSVLSDQPKAGPGSPLRVTHIKVMCEGGRYTVGGLETFDSLTDLVEHFKKTGIEEASGAFVYLRQPYYATRVNAADIENRVLELNKKQESEDTAKAGFWEEFESLQKQEVKNLHQRLEGQRPENKGKNRYKNILPFDHSRVILQGRDSNIPGSDYINANYIKNQLLGPDENAKTYIASQGCLEATVNDFWQMAWQENSRVIVMTTREVEKGRNKCVPYWPEVGMQRAYGPYSVTNCGEHDTTEYKLRTLQVSPLDNGDLIREIWHYQYLSWPDHGVPSEPGGVLSFLDQINQRQESLPHAGPIIVHCSAGIGRTGTIIVIDMLMENISTKGLDCDIDIQKTIQMVRAQRSGMVQTEAQYKFIYVAIAQFIETTKKKLEVLQSQKGQESEYGNITYPPAMKNAHAKASRTSSKHKEDVYENLHTKNKREEKVKKQRSADKEKSKGSLKRK
  
Inhibitor
Name:
BDBM50098803
Synonyms:
CHEMBL3329937
Type:
Small organic molecule
Emp. Form.:
C70H110N18O20S
Mol. Mass.:
1555.796
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(C)(C)C)[C@@H](C)CC)C(C)(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1[C@@H](CSC1(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
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