Target
Integrin alpha-4
Ligand
BDBM39009
Substrate
n/a
Meas. Tech.
Dose Response of primary screening hit compounds for Identification of VLA-4 Allosteric Modulators
EC50
2670±n/a nM
Citation
 PubChem, PC Dose Response of primary screening hit compounds for Identification of VLA-4 Allosteric Modulators PubChem Bioassay (2010)[AID] 
Target
Name:
Integrin alpha-4
Synonyms:
CD49 antigen-like family member D | CD49D | CD49d antigen | CD_antigen=CD49d | ITA4_HUMAN | ITGA4 | Integrin alpha-4 | Integrin alpha-4/beta-7 | Integrin alpha-IV | Integrin alpha4 | VLA-4 | VLA-4 subunit alpha | integrin alpha 4 precursor | integrin alpha-4 precursor
Type:
Membrane Protein
Mol. Mass.:
114897.35
Organism:
Homo sapiens (Human)
Description:
P13612
Residue:
1032
Sequence:
MAWEARREPGPRRAAVRETVMLLLCLGVPTGRPYNVDTESALLYQGPHNTLFGYSVVLHSHGANRWLLVGAPTANWLANASVINPGAIYRCRIGKNPGQTCEQLQLGSPNGEPCGKTCLEERDNQWLGVTLSRQPGENGSIVTCGHRWKNIFYIKNENKLPTGGCYGVPPDLRTELSKRIAPCYQDYVKKFGENFASCQAGISSFYTKDLIVMGAPGSSYWTGSLFVYNITTNKYKAFLDKQNQVKFGSYLGYSVGAGHFRSQHTTEVVGGAPQHEQIGKAYIFSIDEKELNILHEMKGKKLGSYFGASVCAVDLNADGFSDLLVGAPMQSTIREEGRVFVYINSGSGAVMNAMETNLVGSDKYAARFGESIVNLGDIDNDGFEDVAIGAPQEDDLQGAIYIYNGRADGISSTFSQRIEGLQISKSLSMFGQSISGQIDADNNGYVDVAVGAFRSDSAVLLRTRPVVIVDASLSHPESVNRTKFDCVENGWPSVCIDLTLCFSYKGKEVPGYIVLFYNMSLDVNRKAESPPRFYFSSNGTSDVITGSIQVSSREANCRTHQAFMRKDVRDILTPIQIEAAYHLGPHVISKRSTEEFPPLQPILQQKKEKDIMKKTINFARFCAHENCSADLQVSAKIGFLKPHENKTYLAVGSMKTLMLNVSLFNAGDDAYETTLHVKLPVGLYFIKILELEEKQINCEVTDNSGVVQLDCSIGYIYVDHLSRIDISFLLDVSSLSRAEEDLSITVHATCENEEEMDNLKHSRVTVAIPLKYEVKLTVHGFVNPTSFVYGSNDENEPETCMVEKMNLTFHVINTGNSMAPNVSVEIMVPNSFSPQTDKLFNILDVQTTTGECHFENYQRVCALEQQKSAMQTLKGIVRFLSKTDKRLLYCIKADPHCLNFLCNFGKMESGKEASVHIQLEGRPSILEMDETSALKFEIRATGFPEPNPRVIELNKDENVAHVLLEGLHHQRPKRYFTIVIISSSLLLGLIVLLLISYVMWKAGFFKRQYKSILQEENRRDSWSYINSKSNDD
  
Inhibitor
Name:
BDBM39009
Synonyms:
6-(4-bromophenyl)-2-(methylsulfinyl)-4-phenylnicotinonitrile | 6-(4-bromophenyl)-2-methylsulfinyl-4-phenyl-3-pyridinecarbonitrile | 6-(4-bromophenyl)-2-methylsulfinyl-4-phenyl-nicotinonitrile | 6-(4-bromophenyl)-2-methylsulfinyl-4-phenyl-pyridine-3-carbonitrile | 6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile | MLS000048185 | SMR000073426 | cid_1316704
Type:
Small organic molecule
Emp. Form.:
C19H13BrN2OS
Mol. Mass.:
397.288
SMILES:
CS(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: