Reaction Details Report a problem with these data
Target
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 [133-300]
Ligand
BDBM228839
Substrate
n/a
Meas. Tech.
Fluorescent Polarization Competition Assay
pH
7.4000±0.0000
Temperature
296.1500±0.0000 K
Ki
7.0e+3± 5e+2 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:
BDBM228839
Synonyms:
biotin-DEEASCPERPPALLQEEWETVM | b-PTHRct-22
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](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[C@@H](C)O)C(C)C)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: