Reaction Details Report a problem with these data
Target
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 [133-300]
Ligand
BDBM228840
Substrate
n/a
Meas. Tech.
Isothermal Titration Calorimetry (ITC)
pH
8.0000±0.0000
Temperature
298.1500±0.0000 K
Kd
9.7e+3± 1.1e+3 nM
Citation
 Mamonova, T; Zhang, Q; Chandra, M; Collins, BM; Sarfo, E; Bu, Z; Xiao, K; Bisello, A; Friedman, PA Origins of PDZ Binding Specificity. A Computational and Experimental Study Using NHERF1 and the Parathyroid Hormone Receptor. Biochemistry 56:2584-2593 (2017) [PubMed]  Article 
Target
Name:
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 [133-300]
Synonyms:
NHRF1_HUMAN | NHERF1 | NHERF | SLC9A3R1 | Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ2)
Type:
Protein
Mol. Mass.:
18472.23
Organism:
Human
Description:
PDZ2 domain of human NHERF1 (133-300 aa)
Residue:
168
Sequence:
NENEPREADKSHPEQRELRPRLCTMKKGPSGYGFNLHSDKSKPGQFIRSVDPDSPAEASGLRAQDRIVEVNGVCMEGKQHGDVVSAIRAGGDETKLLVVDRETDEFFKKCRVIPSQEHLNGPLPVPFTNGEIQKENSREALAEAALESPRPALVRSASSDTSEELNSQ
  
Inhibitor
Name:
BDBM228840
Synonyms:
QEEWETVM | PTHRct-8
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(O)=O |r|
Structure:
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