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Target
Apical membrane antigen 1
Ligand
BDBM50059081
Substrate
n/a
Meas. Tech.
ChEMBL_1461001 (CHEMBL3394976)
Kd
23±n/a nM
Citation
 Ge, X; MacRaild, CA; Devine, SM; Debono, CO; Wang, G; Scammells, PJ; Scanlon, MJ; Anders, RF; Foley, M; Norton, RS Ligand-induced conformational change of Plasmodium falciparum AMA1 detected using 19F NMR. J Med Chem 57:6419-27 (2014) [PubMed]  Article 
Target
Name:
Apical membrane antigen 1
Synonyms:
Apical membrane antigen 1
Type:
PROTEIN
Mol. Mass.:
72027.39
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_109724
Residue:
622
Sequence:
MRKLYCVLLLSAFEFTYMINFGRGQNYWEHPYQNSDVYRPINEHREHPKEYEYPLHQEHTYQQEDSGEDENTLQHAYPIDHEGAEPAPQEQNLFSSIEIVERSNYMGNPWTEYMAKYDIEEVHGSGIRVDLGEDAEVAGTQYRLPSGKCPVFGKGIIIENSNTTFLTPVATGNQYLKDGGFAFPPTEPLMSPMTLDEMRHFYKDNKYVKNLDELTLCSRHAGNMIPDNDKNSNYKYPAVYDDKDKKCHILYIAAQENNGPRYCNKDESKRNSMFCFRPAKDISFQNYTYLSKNVVDNWEKVCPRKNLQNAKFGLWVDGNCEDIPHVNEFPAIDLFECNKLVFELSASDQPKQYEQHLTDYEKIKEGFKNKNASMIKSAFLPTGAFKADRYKSHGKGYNWGNYNTETQKCEIFNVKPTCLINNSSYIATTALSHPIEVENNFPCSLYKDEIMKEIERESKRIKLNDNDDEGNKKIIAPRIFISDDKDSLKCPCDPEMVSNSTCRFFVCKCVERRAEVTSNNEVVVKEEYKDEYADIPEHKPTYDKMKIIIASSAAVAVLATILMVYLYKRKGNAEKYDKMDEPQDYGKSNSRNDEMLDPEASFWGEEKRASHTTPVLMEKPYY
  
Inhibitor
Name:
BDBM50059081
Synonyms:
CHEMBL3393120
Type:
Small organic molecule
Emp. Form.:
C115H175N27O25S
Mol. Mass.:
2367.851
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Structure:
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