Reaction Details Report a problem with these data
Target
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 [1-140]
Ligand
BDBM228839
Substrate
n/a
Meas. Tech.
Surface Plasmon Resonance (SPR)
pH
7.4±0
Temperature
288.15±0 K
Kd
1.60e+4± 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 [1-140]
Synonyms:
NHERF | NHERF1 | NHRF1_HUMAN | Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1) | SLC9A3R1
Type:
Protein
Mol. Mass.:
14899.03
Organism:
Homo sapiens (Human)
Description:
PDZ1 domain of human NHERF1 (1-140 aa)
Residue:
140
Sequence:
MSADAAAGAPLPRLCCLEKGPNGYGFHLHGEKGKLGQYIRLVEPGSPAEKAGLLAGDRLVEVNGENVEKETHQQVVSRIRAALNAVRLLVVDPETDEQLQKLGVQVREELLRAQEAPGQAEPPAAAEVQGAGNENEPREA
  
Inhibitor
Name:
BDBM228839
Synonyms:
b-PTHRct-22 | biotin-DEEASCPERPPALLQEEWETVM
Type:
Small organic molecule
Emp. Form.:
C119H181N29O42S3
Mol. Mass.:
2786.075
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:
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