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Target
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
Ligand
BDBM260669
Substrate
n/a
Meas. Tech.
Binding Inhibition Assay
pH
9.6±n/a
Temperature
277.15±n/a K
IC50
0.060±n/a nM
Comments
extracted
Citation
 Ueno, H; Yamamoto, T; Takashita, R; Yokoyama, R; Sugiura, T; Kageyama, S; Ando, A; Eda, H; Eviryanti, A; Miyazawa, T; Kirihara, A; Tanabe, I; Nakamura, T; Noguchi, M; Shuto, M; Sugiki, M; Dohi, M Sulfonamide derivative and medicinal use thereof US Patent  US9533985 Publication Date 1/3/2017 
Target
Name:
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1
Synonyms:
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin
Type:
Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 3 components.
Component 1
Name:
Mucosal addressin cell adhesion molecule 1
Synonyms:
MADCA_MOUSE | Madcam1 | Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)
Type:
Enzyme
Mol. Mass.:
43647.51
Organism:
Mus musculus (Mouse)
Description:
Q61826
Residue:
405
Sequence:
MESILALLLALALVPYQLSRGQSFQVNPPESEVAVAMGTSLQITCSMSCDEGVARVHWRGLDTSLGSVQTLPGSSILSVRGMLSDTGTPVCVGSCGSRSFQHSVKILVYAFPDQLVVSPEFLVPGQDQVVSCTAHNIWPADPNSLSFALLLGEQRLEGAQALEPEQEEEIQEAEGTPLFRMTQRWRLPSLGTPAPPALHCQVTMQLPKLVLTHRKEIPVLQSQTSPKPPNTTSAEPYILTSSSTAEAVSTGLNITTLPSAPPYPKLSPRTLSSEGPCRPKIHQDLEAGWELLCEASCGPGVTVRWTLAPGDLATYHKREAGAQAWLSVLPPGPMVEGWFQCRQDPGGEVTNLYVPGQVTPNSSSTVVLWIGSLVLGLLALVFLAYRLWKCYRPGPRPDTSSCTHL
  
Component 2
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 3
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:
BDBM260669
Synonyms:
US9533985, 57
Type:
Small organic molecule
Emp. Form.:
C31H23F2N9O7S
Mol. Mass.:
703.632
SMILES:
Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4cncn4)cc3F)C(O)=O)cc2)c1=O |r|
Structure:
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