Reaction Details Report a problem with these data
Target
Na(+)/H(+) exchange regulatory cofactor NHE-RF2
Ligand
BDBM50555259
Substrate
n/a
Meas. Tech.
ChEMBL_2051638 (CHEMBL4706337)
Kd
7480±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-RF2
Synonyms:
NHE3 kinase A regulatory protein E3KARP | NHERF-2 | NHERF2 | NHRF2_HUMAN | Na(+)/H(+) exchange regulatory cofactor NHE-RF2 | SIP-1 | SLC9A3R2 | SRY-interacting protein 1 | Sodium-hydrogen exchanger regulatory factor 2 | Solute carrier family 9 isoform A3 regulatory factor 2 | TKA-1 | Tyrosine kinase activator protein 1
Type:
PROTEIN
Mol. Mass.:
37420.88
Organism:
Homo sapiens
Description:
ChEMBL_120151
Residue:
337
Sequence:
MAAPEPLRPRLCRLVRGEQGYGFHLHGEKGRRGQFIRRVEPGSPAEAAALRAGDRLVEVNGVNVEGETHHQVVQRIKAVEGQTRLLVVDQETDEELRRRQLTCTEEMAQRGLPPAHDPWEPKPDWAHTGSHSSEAGKKDVSGPLRELRPRLCHLRKGPQGYGFNLHSDKSRPGQYIRSVDPGSPAARSGLRAQDRLIEVNGQNVEGLRHAEVVASIKAREDEARLLVVDPETDEHFKRLRVTPTEEHVEGPLPSPVTNGTSPAQLNGGSACSSRSDLPGSDKDTEDGSAWKQDPFQESGLHLSPTAAEAKEKARAMRVNKRAPQMDWNRKREIFSNF
  
Inhibitor
Name:
BDBM50555259
Synonyms:
CHEMBL4756359
Type:
Small organic molecule
Emp. Form.:
C99H133N25O21S4
Mol. Mass.:
2137.53
SMILES:
C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(=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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