Reaction Details Report a problem with these data
Target
Na(+)/H(+) exchange regulatory cofactor NHE-RF1
Ligand
BDBM50555258
Substrate
n/a
Meas. Tech.
ChEMBL_2051636 (CHEMBL4706335)
Kd
3970±n/a nM
Citation
 Dougherty, PG; Wellmerling, JH; Koley, A; Lukowski, JK; Hummon, AB; Cormet-Boyaka, E; Pei, D Cyclic Peptidyl Inhibitors against CAL/CFTR Interaction for Treatment of Cystic Fibrosis. J Med Chem 63:15773-15784 (2020) [PubMed]  Article 
Target
Name:
Na(+)/H(+) exchange regulatory cofactor NHE-RF1
Synonyms:
EBP50 | Ezrin-radixin-moesin-binding phosphoprotein 50 | NHERF | NHERF-1 | NHERF1 | NHRF1_HUMAN | Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Regulatory cofactor of Na(+)/H(+) exchanger | SLC9A3R1 | Sodium-hydrogen exchanger regulatory factor 1 | Solute carrier family 9 isoform A3 regulatory factor 1
Type:
PROTEIN
Mol. Mass.:
38862.94
Organism:
Homo sapiens
Description:
ChEMBL_118875
Residue:
358
Sequence:
MSADAAAGAPLPRLCCLEKGPNGYGFHLHGEKGKLGQYIRLVEPGSPAEKAGLLAGDRLVEVNGENVEKETHQQVVSRIRAALNAVRLLVVDPETDEQLQKLGVQVREELLRAQEAPGQAEPPAAAEVQGAGNENEPREADKSHPEQRELRPRLCTMKKGPSGYGFNLHSDKSKPGQFIRSVDPDSPAEASGLRAQDRIVEVNGVCMEGKQHGDVVSAIRAGGDETKLLVVDRETDEFFKKCRVIPSQEHLNGPLPVPFTNGEIQKENSREALAEAALESPRPALVRSASSDTSEELNSQDSPPKQDSTAPSSTSSSDPILDFNISLAMAKERAHQKRSSKRAPQMDWSKKNELFSNL
  
Inhibitor
Name:
BDBM50555258
Synonyms:
CHEMBL4789294
Type:
Small organic molecule
Emp. Form.:
C98H131N25O21S4
Mol. Mass.:
2123.504
SMILES:
C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C |r|
Structure:
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