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Target
Integrin alpha-4
Ligand
BDBM50309084
Substrate
n/a
Meas. Tech.
ChEMBL_608124 (CHEMBL1074813)
IC50
0.080000±n/a nM
Citation
 Reger, TS; Zunic, J; Stock, N; Wang, B; Smith, ND; Munoz, B; Green, MD; Gardner, MF; James, JP; Chen, W; Alves, K; Si, Q; Treonze, KM; Lingham, RB; Mumford, RA Heterocycle-substituted proline dipeptides as potent VLA-4 antagonists. Bioorg Med Chem Lett 20:1173-6 (2010) [PubMed]  Article 
Target
Name:
Integrin alpha-4
Synonyms:
ITA4_HUMAN | ITGA4 | CD49D | Integrin alpha4 | CD49d antigen | CD_antigen=CD49d | VLA-4 subunit alpha | integrin alpha 4 precursor | integrin alpha-4 precursor | Integrin alpha-IV | VLA-4 | CD49 antigen-like family member D
Type:
Membrane Protein
Mol. Mass.:
114897.35
Organism:
Human
Description:
P13612
Residue:
1032
Sequence:
MAWEARREPGPRRAAVRETVMLLLCLGVPTGRPYNVDTESALLYQGPHNTLFGYSVVLHSHGANRWLLVGAPTANWLANASVINPGAIYRCRIGKNPGQTCEQLQLGSPNGEPCGKTCLEERDNQWLGVTLSRQPGENGSIVTCGHRWKNIFYIKNENKLPTGGCYGVPPDLRTELSKRIAPCYQDYVKKFGENFASCQAGISSFYTKDLIVMGAPGSSYWTGSLFVYNITTNKYKAFLDKQNQVKFGSYLGYSVGAGHFRSQHTTEVVGGAPQHEQIGKAYIFSIDEKELNILHEMKGKKLGSYFGASVCAVDLNADGFSDLLVGAPMQSTIREEGRVFVYINSGSGAVMNAMETNLVGSDKYAARFGESIVNLGDIDNDGFEDVAIGAPQEDDLQGAIYIYNGRADGISSTFSQRIEGLQISKSLSMFGQSISGQIDADNNGYVDVAVGAFRSDSAVLLRTRPVVIVDASLSHPESVNRTKFDCVENGWPSVCIDLTLCFSYKGKEVPGYIVLFYNMSLDVNRKAESPPRFYFSSNGTSDVITGSIQVSSREANCRTHQAFMRKDVRDILTPIQIEAAYHLGPHVISKRSTEEFPPLQPILQQKKEKDIMKKTINFARFCAHENCSADLQVSAKIGFLKPHENKTYLAVGSMKTLMLNVSLFNAGDDAYETTLHVKLPVGLYFIKILELEEKQINCEVTDNSGVVQLDCSIGYIYVDHLSRIDISFLLDVSSLSRAEEDLSITVHATCENEEEMDNLKHSRVTVAIPLKYEVKLTVHGFVNPTSFVYGSNDENEPETCMVEKMNLTFHVINTGNSMAPNVSVEIMVPNSFSPQTDKLFNILDVQTTTGECHFENYQRVCALEQQKSAMQTLKGIVRFLSKTDKRLLYCIKADPHCLNFLCNFGKMESGKEASVHIQLEGRPSILEMDETSALKFEIRATGFPEPNPRVIELNKDENVAHVLLEGLHHQRPKRYFTIVIISSSLLLGLIVLLLISYVMWKAGFFKRQYKSILQEENRRDSWSYINSKSNDD
  
Inhibitor
Name:
BDBM50309084
Synonyms:
(S)-2-((2S,4R)-4-(1H-benzo[d]imidazol-1-yl)-1-(3-cyanophenylsulfonyl)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)propanoic acid | CHEMBL601683
Type:
Small organic molecule
Emp. Form.:
C34 H27 Cl2 N7 O6 S
Mol. Mass.:
732.59248
SMILES:
OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1cccc(c1)C#N)n1cnc2ccccc12 |r|
Structure:
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