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Target
Integrin alpha-4/beta-7
Ligand
BDBM50144752
Substrate
n/a
Meas. Tech.
ChEMBL_217618 (CHEMBL820361)
IC50
21±n/a nM
Citation
 Kamenecka, TM; Park, YJ; Lin, LS; de Laszlo, S; McCauley, ED; Van Riper, G; Egger, L; Kidambi, U; Mumford, RA; Tong, S; Tang, W; Colletti, A; Teffera, Y; Stearns, R; MacCoss, M; Schmidt, JA; Hagmann, WK Amidines as amide bond replacements in VLA-4 antagonists. Bioorg Med Chem Lett 14:2323-6 (2004) [PubMed]  Article 
Target
Name:
Integrin alpha-4/beta-7
Synonyms:
Integrin α4β7 | Integrin alpha-4/beta-7 | Integrin alpha-4/beta7 | Integrin alpha4beta7
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
The assay uses stably transfected K562 cells expressing human alpha4beta7 integrin.
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Integrin beta-7
Synonyms:
ITB7_HUMAN | ITGB7 | Integrin alpha-4/beta-7 | Integrin beta-7 precursor | Integrin beta7
Type:
Membrane Protein
Mol. Mass.:
86893.88
Organism:
Homo sapiens (Human)
Description:
P26010
Residue:
798
Sequence:
MVALPMVLVLLLVLSRGESELDAKIPSTGDATEWRNPHLSMLGSCQPAPSCQKCILSHPSCAWCKQLNFTASGEAEARRCARREELLARGCPLEELEEPRGQQEVLQDQPLSQGARGEGATQLAPQRVRVTLRPGEPQQLQVRFLRAEGYPVDLYYLMDLSYSMKDDLERVRQLGHALLVRLQEVTHSVRIGFGSFVDKTVLPFVSTVPSKLRHPCPTRLERCQSPFSFHHVLSLTGDAQAFEREVGRQSVSGNLDSPEGGFDAILQAALCQEQIGWRNVSRLLVFTSDDTFHTAGDGKLGGIFMPSDGHCHLDSNGLYSRSTEFDYPSVGQVAQALSAANIQPIFAVTSAALPVYQELSKLIPKSAVGELSEDSSNVVQLIMDAYNSLSSTVTLEHSSLPPGVHISYESQCEGPEKREGKAEDRGQCNHVRINQTVTFWVSLQATHCLPEPHLLRLRALGFSEELIVELHTLCDCNCSDTQPQAPHCSDGQGHLQCGVCSCAPGRLGRLCECSVAELSSPDLESGCRAPNGTGPLCSGKGHCQCGRCSCSGQSSGHLCECDDASCERHEGILCGGFGRCQCGVCHCHANRTGRACECSGDMDSCISPEGGLCSGHGRCKCNRCQCLDGYYGALCDQCPGCKTPCERHRDCAECGAFRTGPLATNCSTACAHTNVTLALAPILDDGWCKERTLDNQLFFFLVEDDARGTVVLRVRPQEKGADHTQAIVLGCVGGIVAVGLGLVLAYRLSVEIYDRREYSRFEKEQQQLNWKQDSNPLYKSAITTTINPRFQEADSPTL
  
Inhibitor
Name:
BDBM50144752
Synonyms:
(S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-N-methyl-azetidine-2-carboximidoyl]-amino}-3-(2',6'-dimethoxy-biphenyl-4-yl)-propionic acid | CHEMBL75032
Type:
Small organic molecule
Emp. Form.:
C28H29Cl2N3O6S
Mol. Mass.:
606.517
SMILES:
CNC(=N[C@@H](Cc1ccc(cc1)-c1c(OC)cccc1OC)C(O)=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 |w:2.1|
Structure:
Search PDB for entries with ligand similarity: