Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11 [205-593]
Ligand
BDBM25122
Substrate
BDBM13432
Meas. Tech.
Inhibition of PTP Activity
pH
6±n/a
Temperature
303.15±n/a K
IC50
2100±n/a nM
Citation
 Dawson, MI; Xia, Z; Jiang, T; Ye, M; Fontana, JA; Farhana, L; Patel, B; Xue, LP; Bhuiyan, M; Pellicciari, R; Macchiarulo, A; Nuti, R; Zhang, XK; Han, YH; Tautz, L; Hobbs, PD; Jong, L; Waleh, N; Chao, WR; Feng, GS; Pang, Y; Su, Y Adamantyl-substituted retinoid-derived molecules that interact with the orphan nuclear receptor small heterodimer partner: effects of replacing the 1-adamantyl or hydroxyl group on inhibition of cancer cell growth, induction of cancer cell apoptosis, and inhibition of SRC homology 2 domain-containi J Med Chem 51:5650-62 (2008) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 11 [205-593]
Synonyms:
PTN11_HUMAN | PTP-1D | PTP-2C | PTP2C | PTPN11 | Protein-Tyrosine Phosphatase SHP-2 | SH-PTP3 | SHPTP2 | Shp2
Type:
Protein phosphatase
Mol. Mass.:
44924.47
Organism:
Homo sapiens (Human)
Description:
Human recombinant GST-fusion SHP-2 (205-593).
Residue:
389
Sequence:
TLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQALLQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRIEEEQKSKRKGHEYTNIKYSLADQTSGDQSPLPPCTPTPPCAEMREDSARVYENVGLMQQQ
  
Inhibitor
Name:
BDBM25122
Synonyms:
(2E)-3-{4-[3-(adamantan-1-yl)-4-hydroxyphenyl]-3-chlorophenyl}prop-2-enoic acid | (E)-4-[3-(1-Adamantyl)-4-hydroxyphenyl]-3-chlorocinnamic acid | 3-Cl-AHPC
Type:
Small organic molecule
Emp. Form.:
C25H25ClO3
Mol. Mass.:
408.917
SMILES:
OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:26:21:28:25.24.27,26:25:21.22.20:28,THB:24:23:20:25.26.27,24:25:20:23.22.28|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13432
Synonyms:
6,8-difluoro-4-methylumbelliferyl phosphate | DiFMUP | [(6,8-difluoro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C10H7F2O6P
Mol. Mass.:
292.1295
SMILES:
Cc1cc(=O)oc2c(F)c(OP(O)(O)=O)c(F)cc12
Structure:
Search PDB for entries with ligand similarity: