Ki Summary

Reaction Details

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Target

Apical membrane antigen 1

Ligand

BDBM50059081

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1461001 (CHEMBL3394976)

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 Chem57:6419-27 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Apical membrane antigen 1

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:

MRKLYCVLLLSAFEFTYMINFGRGQNYWEHPYQNSDVYRPINEHREHPKEYEYPLHQEHT
YQQEDSGEDENTLQHAYPIDHEGAEPAPQEQNLFSSIEIVERSNYMGNPWTEYMAKYDIE
EVHGSGIRVDLGEDAEVAGTQYRLPSGKCPVFGKGIIIENSNTTFLTPVATGNQYLKDGG
FAFPPTEPLMSPMTLDEMRHFYKDNKYVKNLDELTLCSRHAGNMIPDNDKNSNYKYPAVY
DDKDKKCHILYIAAQENNGPRYCNKDESKRNSMFCFRPAKDISFQNYTYLSKNVVDNWEK
VCPRKNLQNAKFGLWVDGNCEDIPHVNEFPAIDLFECNKLVFELSASDQPKQYEQHLTDY
EKIKEGFKNKNASMIKSAFLPTGAFKADRYKSHGKGYNWGNYNTETQKCEIFNVKPTCLI
NNSSYIATTALSHPIEVENNFPCSLYKDEIMKEIERESKRIKLNDNDDEGNKKIIAPRIF
ISDDKDSLKCPCDPEMVSNSTCRFFVCKCVERRAEVTSNNEVVVKEEYKDEYADIPEHKP
TYDKMKIIIASSAAVAVLATILMVYLYKRKGNAEKYDKMDEPQDYGKSNSRNDEMLDPEA
SFWGEEKRASHTTPVLMEKPYY

BDBM50059081

n/a

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