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TargetIntegrin alpha4beta1 (VLA-4)
LigandBDBM16867
Substrate/CompetitorVCAM-1
Meas. Tech.Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1)
Temperature277.15±n/a K
IC50 19±n/a nM
Commentsextracted
Citation Dyatkin, ABGong, YMiskowski, TAKimball, ESProuty, SMFisher, MCSantulli, RJSchneider, CRWallace, NHHornby, PJDiamond, CKinney, WAMaryanoff, BEDamiano, BPHe, W Aza-bicyclic amino acid carboxamides as alpha4beta1/alpha4beta7 integrin receptor antagonists. Bioorg Med Chem13:6693-702 (2005) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Integrin alpha4beta1 (VLA-4)
Name:Integrin alpha4beta1 (VLA-4)
Synonyms:CD49d/CD29 | Very Late Antigen-4
Type:Protein Complex
Mol. Mass.:n/a
Description:The assay uses transfected Ramos cells expressing alpha4beta1 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 beta1
Synonyms:CD29 antigen | Fibronectin receptor subunit beta | Integrin VLA-4 subunit beta
Type:Membrane Protein
Mol. Mass.:88450.95
Organism:Homo sapiens (Human)
Description:n/a
Residue:798
Sequence:
MNLQPIFWIGLISSVCCVFAQTDENRCLKANAKSCGECIQAGPNCGWCTNSTFLQEGMPT
SARCDDLEALKKKGCPPDDIENPRGSKDIKKNKNVTNRSKGTAEKLKPEDIHQIQPQQLV
LRLRSGEPQTFTLKFKRAEDYPIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMRRITSDF
RIGFGSFVEKTVMPYISTTPAKLRNPCTSEQNCTTPFSYKNVLSLTNKGEVFNELVGKQR
ISGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGDGKLGGIVLPNDGQ
CHLENNMYTMSHYYDYPSIAHLVQKLSENNIQTIFAVTEEFQPVYKELKNLIPKSAVGTL
SANSSNVIQLIIDAYNSLSSEVILENGKLSEGVTISYKSYCKNGVNGTGENGRKCSNISI
GDEVQFEISITSNKCPKKDSDSFKIRPLGFTEEVEVILQYICECECQSEGIPESPKCHEG
NGTFECGACRCNEGRVGRHCECSTDEVNSEDMDAYCRKENSSEICSNNGECVCGQCVCRK
RDNTNEIYSGKFCECDNFNCDRSNGLICGGNGVCKCRVCECNPNYTGSACDCSLDTSTCE
ASNGQICNGRGICECGVCKCTDPKFQGQTCEMCQTCLGVCAEHKECVQCRAFNKGEKKDT
CTQECSYFNITKVESRDKLPQPVQPDPVSHCKEKDVDDCWFYFTYSVNGNNEVMVHVVEN
PECPTGPDIIPIVAGVVAGIVLIGLALLLIWKLLMIIHDRREFAKFEKEKMNAKWDTGEN
PIYKSAVTTVVNPKYEGK
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BDBM16867
NameBDBM16867
Synonyms:(2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2.2]octan-3-yl]formamido}-3-{4-[(2,6-dichlorobenzene)amido]phenyl}propanoic acid | CHEMBL156019 | azabicyclo[2.2.2]octane derivative, 5
TypeSmall organic molecule
Emp. Form.C30H29Cl2N3O6S
Mol. Mass.630.539
SMILESOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1 |r,wU:25.26,wD:3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(12.01,-6.54,;13.34,-5.77,;13.34,-4.23,;14.67,-6.54,;16.01,-5.77,;17.34,-6.54,;18.67,-5.77,;20.01,-6.54,;20.01,-8.08,;21.34,-8.85,;22.67,-8.08,;22.67,-6.54,;24.01,-8.85,;25.34,-8.08,;25.34,-6.54,;26.68,-8.85,;26.68,-10.39,;25.34,-11.16,;24.01,-10.39,;22.67,-11.16,;18.67,-8.85,;17.34,-8.08,;14.67,-8.08,;13.58,-9.17,;13.98,-10.66,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.18,-11.14,;13.67,-11.54,;12.18,-12.68,;10.69,-11.54,;10.25,-13.01,;8.75,-13.37,;7.7,-12.25,;8.14,-10.78,;9.64,-10.42,)|
Structure
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VCAM-1
Name:Vascular cell adhesion protein 1
Synonyms:CD106 antigen | INCAM-100 | Vascular cell adhesion protein 1 | Vascular cell adhesion protein 1 (VCAM-1) | Vascular cell adhesion protein 1 precursor
Type:Other Protein Type
Mol. Mass.:81259.16
Organism:Homo sapiens (Human)
Description:P19320
Residue:739
Sequence:
MPGKMVVILGASNILWIMFAASQAFKIETTPESRYLAQIGDSVSLTCSTTGCESPFFSWR
TQIDSPLNGKVTNEGTTSTLTMNPVSFGNEHSYLCTATCESRKLEKGIQVEIYSFPKDPE
IHLSGPLEAGKPITVKCSVADVYPFDRLEIDLLKGDHLMKSQEFLEDADRKSLETKSLEV
TFTPVIEDIGKVLVCRAKLHIDEMDSVPTVRQAVKELQVYISPKNTVISVNPSTKLQEGG
SVTMTCSSEGLPAPEIFWSKKLDNGNLQHLSGNATLTLIAMRMEDSGIYVCEGVNLIGKN
RKEVELIVQEKPFTVEISPGPRIAAQIGDSVMLTCSVMGCESPSFSWRTQIDSPLSGKVR
SEGTNSTLTLSPVSFENEHSYLCTVTCGHKKLEKGIQVELYSFPRDPEIEMSGGLVNGSS
VTVSCKVPSVYPLDRLEIELLKGETILENIEFLEDTDMKSLENKSLEMTFIPTIEDTGKA
LVCQAKLHIDDMEFEPKQRQSTQTLYVNVAPRDTTVLVSPSSILEEGSSVNMTCLSQGFP
APKILWSRQLPNGELQPLSENATLTLISTKMEDSGVYLCEGINQAGRSRKEVELIIQVTP
KDIKLTAFPSESVKEGDTVIISCTCGNVPETWIILKKKAETGDTVLKSIDGAYTIRKAQL
KDAGVYECESKNKVGSQLRSLTLDVQGRENNKDYFSPELLVLYFASSLIIPAIGMIIYFA
RKANMKGSYSLVEAQKSKV
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