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TargetIntegrin alpha4beta7
LigandBDBM16830
Substrate/CompetitorMAdCAM-1
Meas. Tech.Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1)
Temperature277.15±n/a K
IC50 110±n/a nM
Commentsextracted
Citation Gong, YBarbay, JKDyatkin, ABMiskowski, TAKimball, ESProuty, SMFisher, MCSantulli, RJSchneider, CRWallace, NHBallentine, SAHageman, WEMasucci, JAMaryanoff, BEDamiano, BPAndrade-Gordon, PHlasta, DJHornby, PJHe, W Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists. J Med Chem49:3402-11 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Integrin alpha4beta7
Name:Integrin alpha4beta7
Synonyms:n/a
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 alpha4
Synonyms:CD49d antigen | Integrin alpha-IV | VLA-4
Type:Membrane Protein
Mol. Mass.:115328.78
Organism:Homo sapiens (Human)
Description:n/a
Residue:1038
Sequence:
MFPTESAWLGKRGANPGPEAAVRETVMLLLCLGVPTGRPYNVDTESALLYQGPHNTLFGY
SVVLHSHGANRWLLVGAPTANWLANASVINPGAIYRCRIGKNPGQTCEQLQLGSPNGEPC
GKTCLEERDNQWLGVTLSRQPGENGSIVTCGHRWKNIFYIKNENKLPTGGCYGVPPDLRT
ELSKRIAPCYQDYVKKFGENFASCQAGISSFYTKDLIVMGAPGSSYWTGSLFVYNITTNK
YKAFLDKQNQVKFGSYLGYSVGAGHFRSQHTTEVVGGAPQHEQIGKAYIFSIDEKELNIL
HEMKGKKLGSYFGASVCAVDLNADGFSDLLVGAPMQSTIREEGRVFVYINSGSGAVMNAM
ETNLVGSDKYAARFGESIVNLGDIDNDGFEDVAIGAPQEDDLQGAIYIYNGRADGISSTF
SQRIEGLQISKSLSMFGQSISGQIDADNNGYVDVAVGAFRSDSAVLLRTRPVVIVDASLS
HPESVNRTKFDCVENGWPSVCIDLTLCFSYKGKEVPGYIVLFYNMSLDVNRKAESPPRFY
FSSNGTSDVITGSIQVSSREANCRTHQAFMRKDVRDILTPIQIEAAYHLGPHVISKRSTE
EFPPLQPILQQKKEKDIMKKTINFARFCAHENCSADLQVSAKIGFLKPHENKTYLAVGSM
KTLMLNVSLFNAGDDAYETTLHVKLPVGLYFIKILELEEKQINCEVTDNSGVVQLDCSIG
YIYVDHLSRIDISFLLDVSSLSRAEEDLSITVHATCENEEEMDNLKHSRVTVAIPLKYEV
KLTVHGFVNPTSFVYGSNDENEPETCMVEKMNLTFHVINTGNSMAPNVSVEIMVPNSFSP
QTDKLFNILDVQTTTGECHFENYQRVCALEQQKSAMQTLKGIVRFLSKTDKRLLYCIKAD
PHCLNFLCNFGKMESGKEASVHIQLEGRPSILEMDETSALKFEIRATGFPEPNPRVIELN
KDENVAHVLLEGLHHQRPKRYFTIVIISSSLLLGLIVLLLISYVMWKAGFFKRQYKSILQ
EENRRDSWSYINSKSNDD
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Component 2
Name:Integrin alpha-4/beta-7
Synonyms:Integrin beta-7 precursor | Integrin beta7
Type:Membrane Protein
Mol. Mass.:86893.88
Organism:Homo sapiens (Human)
Description:P26010
Residue:798
Sequence:
MVALPMVLVLLLVLSRGESELDAKIPSTGDATEWRNPHLSMLGSCQPAPSCQKCILSHPS
CAWCKQLNFTASGEAEARRCARREELLARGCPLEELEEPRGQQEVLQDQPLSQGARGEGA
TQLAPQRVRVTLRPGEPQQLQVRFLRAEGYPVDLYYLMDLSYSMKDDLERVRQLGHALLV
RLQEVTHSVRIGFGSFVDKTVLPFVSTVPSKLRHPCPTRLERCQSPFSFHHVLSLTGDAQ
AFEREVGRQSVSGNLDSPEGGFDAILQAALCQEQIGWRNVSRLLVFTSDDTFHTAGDGKL
GGIFMPSDGHCHLDSNGLYSRSTEFDYPSVGQVAQALSAANIQPIFAVTSAALPVYQELS
KLIPKSAVGELSEDSSNVVQLIMDAYNSLSSTVTLEHSSLPPGVHISYESQCEGPEKREG
KAEDRGQCNHVRINQTVTFWVSLQATHCLPEPHLLRLRALGFSEELIVELHTLCDCNCSD
TQPQAPHCSDGQGHLQCGVCSCAPGRLGRLCECSVAELSSPDLESGCRAPNGTGPLCSGK
GHCQCGRCSCSGQSSGHLCECDDASCERHEGILCGGFGRCQCGVCHCHANRTGRACECSG
DMDSCISPEGGLCSGHGRCKCNRCQCLDGYYGALCDQCPGCKTPCERHRDCAECGAFRTG
PLATNCSTACAHTNVTLALAPILDDGWCKERTLDNQLFFFLVEDDARGTVVLRVRPQEKG
ADHTQAIVLGCVGGIVAVGLGLVLAYRLSVEIYDRREYSRFEKEQQQLNWKQDSNPLYKS
AITTTINPRFQEADSPTL
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BDBM16830
NameBDBM16830
Synonyms:(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{4-[2-(2-hydroxyethyl)-5-methoxy-3-oxo-2,3-dihydropyridazin-4-yl]phenyl}propanoic acid | pyridazinone-based antagonist, 36
TypeSmall organic molecule
Emp. Form.C21H27N3O7
Mol. Mass.433.455
SMILESCOc1cnn(CCO)c(=O)c1-c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(O)=O)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
MAdCAM-1
Name:MAdCAM-1
Synonyms:Mucosal addressin cell adhesion molecule 1 | hMAdCAM-1
Type:Other Protein Type
Mol. Mass.:42675.21
Organism:Homo sapiens (Human)
Description:Recombinant FLAG-hMAdCAM-1.
Residue:406
Sequence:
MDFGLALLLAGLLGLLLGQSLQVKPLQVEPPEPVVAVALGASRQLTCRLACADRGASVQW
RGLDTSLGAVQSDTGRSVLTVRNASLSAAGTRVCVGSCGGRTFQHTVQLLVYAFPDQLTV
SPAALVPGDPEVACTAHKVTPVDPNALSFSLLVGGQELEGAQALGPEVQEEEEEPQGDED
VLFRVTERWRLPPLGTPVPPALYCQATMRLPGLELSHRQAIPVLHSPTSPEPPDTTSPEP
PNTTSPESPDTTSPESPDTTSQEPPDTTSQEPPDTTSQEPPDTTSPEPPDKTSPEPAPQQ
GSTHTPRSPGSTRTRRPEISQAGPTQGEVIPTGSSKPAGDQLPAALWTSSAVLGLLLLAL
PTYHLWKRCRHLAEDDTHPPASLRLLPQVSAWAGLRGTGQVGISPS
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