Reaction Details Report a problem with these data
Target
Alpha-cobratoxin
Ligand
BDBM50554678
Substrate
n/a
Meas. Tech.
ChEMBL_2050300 (CHEMBL4704999)
IC50
29000±n/a nM
Citation
 Lynagh, T; Kiontke, S; Meyhoff-Madsen, M; Gless, BH; Johannesen, J; Kattelmann, S; Christiansen, A; Dufva, M; Laustsen, AH; Devkota, K; Olsen, CA; Kümmel, D; Pless, SA; Lohse, B Peptide Inhibitors of the ?-Cobratoxin-Nicotinic Acetylcholine Receptor Interaction. J Med Chem 63:13709-13718 (2020) [PubMed]  Article 
Target
Name:
Alpha-cobratoxin
Synonyms:
3L21_NAJKA | Alpha-CT | Alpha-CbT | Alpha-Cbtx | Alpha-Ctx | Alpha-EPTX-Nk2a | Alpha-cobratoxin | Alpha-elapitoxin-Nk2a | Long neurotoxin 1 | Siamensis 3
Type:
PROTEIN
Mol. Mass.:
7835.54
Organism:
Naja kaouthia
Description:
ChEMBL_120138
Residue:
71
Sequence:
IRCFITPDITSKDCPNGHVCYTKTWCDAFCSIRGKRVDLGCAATCPTVKTGVDIQCCSTDNCNPFPTRKRP
  
Inhibitor
Name:
BDBM50554678
Synonyms:
CHEMBL4779503
Type:
Small organic molecule
Emp. Form.:
C95H126N24O24S2
Mol. Mass.:
2052.293
SMILES:
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: