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TargetFibronectin receptor beta/Integrin alpha-4
LigandBDBM50338168
Substrate/Competitorn/a
Meas. Tech.ChEMBL_727812
IC50 130±n/a nM
Citation Semko, CMChen, LDressen, DBDreyer, MLDunn, WFarouz, FSFreedman, SBHolsztynska, EJJefferies, MKonradi, AWLiao, ALugar, JMutter, LPleiss, MAQuinn, KPThompson, TThorsett, EDVandevert, CXu, YZYednock, TA Discovery of a potent, orally bioavailable pyrimidine VLA-4 antagonist effective in a sheep asthma model. Bioorg Med Chem Lett21:1741-3 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Fibronectin receptor beta/Integrin alpha-4
Name:Fibronectin receptor beta/Integrin alpha-4
Synonyms:Integrin alpha-4/beta-1
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of EBI is 88912
Components:This complex has 2 components.
Component 1
Name:ITGA6-ITGB1 complex
Synonyms:CD_antigen=CD29 | Fibronectin receptor beta | Fibronectin receptor subunit beta | GPIIA | ITGB1 | Integrin Glycoprotein IIa | MSK12
Type:Enzyme
Mol. Mass.:88400.38
Organism:Homo sapiens (Human)
Description:P05556
Residue:798
Sequence:
MNLQPIFWIGLISSVCCVFAQTDENRCLKANAKSCGECIQAGPNCGWCTNSTFLQEGMPT
SARCDDLEALKKKGCPPDDIENPRGSKDIKKNKNVTNRSKGTAEKLKPEDITQIQPQQLV
LRLRSGEPQTFTLKFKRAEDYPIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMRRITSDF
RIGFGSFVEKTVMPYISTTPAKLRNPCTSEQNCTSPFSYKNVLSLTNKGEVFNELVGKQR
ISGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGDGKLGGIVLPNDGQ
CHLENNMYTMSHYYDYPSIAHLVQKLSENNIQTIFAVTEEFQPVYKELKNLIPKSAVGTL
SANSSNVIQLIIDAYNSLSSEVILENGKLSEGVTISYKSYCKNGVNGTGENGRKCSNISI
GDEVQFEISITSNKCPKKDSDSFKIRPLGFTEEVEVILQYICECECQSEGIPESPKCHEG
NGTFECGACRCNEGRVGRHCECSTDEVNSEDMDAYCRKENSSEICSNNGECVCGQCVCRK
RDNTNEIYSGKFCECDNFNCDRSNGLICGGNGVCKCRVCECNPNYTGSACDCSLDTSTCE
ASNGQICNGRGICECGVCKCTDPKFQGQTCEMCQTCLGVCAEHKECVQCRAFNKGEKKDT
CTQECSYFNITKVESRDKLPQPVQPDPVSHCKEKDVDDCWFYFTYSVNGNNEVMVHVVEN
PECPTGPDIIPIVAGVVAGIVLIGLALLLIWKLLMIIHDRREFAKFEKEKMNAKWDTGEN
PIYKSAVTTVVNPKYEGK
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  Blast E-value cutoff:
Component 2
Name:Integrin alpha-4/beta-7
Synonyms:CD49 antigen-like family member D | CD_antigen=CD49d | Integrin alpha-4/beta-7 | Integrin alpha-IV | VLA-4 | VLA-4 subunit alpha | integrin alpha 4 precursor | integrin alpha-4 precursor
Type:Enzyme
Mol. Mass.:114897.35
Organism:Homo sapiens (Human)
Description:P13612
Residue:1032
Sequence:
MAWEARREPGPRRAAVRETVMLLLCLGVPTGRPYNVDTESALLYQGPHNTLFGYSVVLHS
HGANRWLLVGAPTANWLANASVINPGAIYRCRIGKNPGQTCEQLQLGSPNGEPCGKTCLE
ERDNQWLGVTLSRQPGENGSIVTCGHRWKNIFYIKNENKLPTGGCYGVPPDLRTELSKRI
APCYQDYVKKFGENFASCQAGISSFYTKDLIVMGAPGSSYWTGSLFVYNITTNKYKAFLD
KQNQVKFGSYLGYSVGAGHFRSQHTTEVVGGAPQHEQIGKAYIFSIDEKELNILHEMKGK
KLGSYFGASVCAVDLNADGFSDLLVGAPMQSTIREEGRVFVYINSGSGAVMNAMETNLVG
SDKYAARFGESIVNLGDIDNDGFEDVAIGAPQEDDLQGAIYIYNGRADGISSTFSQRIEG
LQISKSLSMFGQSISGQIDADNNGYVDVAVGAFRSDSAVLLRTRPVVIVDASLSHPESVN
RTKFDCVENGWPSVCIDLTLCFSYKGKEVPGYIVLFYNMSLDVNRKAESPPRFYFSSNGT
SDVITGSIQVSSREANCRTHQAFMRKDVRDILTPIQIEAAYHLGPHVISKRSTEEFPPLQ
PILQQKKEKDIMKKTINFARFCAHENCSADLQVSAKIGFLKPHENKTYLAVGSMKTLMLN
VSLFNAGDDAYETTLHVKLPVGLYFIKILELEEKQINCEVTDNSGVVQLDCSIGYIYVDH
LSRIDISFLLDVSSLSRAEEDLSITVHATCENEEEMDNLKHSRVTVAIPLKYEVKLTVHG
FVNPTSFVYGSNDENEPETCMVEKMNLTFHVINTGNSMAPNVSVEIMVPNSFSPQTDKLF
NILDVQTTTGECHFENYQRVCALEQQKSAMQTLKGIVRFLSKTDKRLLYCIKADPHCLNF
LCNFGKMESGKEASVHIQLEGRPSILEMDETSALKFEIRATGFPEPNPRVIELNKDENVA
HVLLEGLHHQRPKRYFTIVIISSSLLLGLIVLLLISYVMWKAGFFKRQYKSILQEENRRD
SWSYINSKSNDD
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  Blast E-value cutoff:
BDBM50338168
NameBDBM50338168
Synonyms:(S)-2-benzamido-3-(4-(dimethylcarbamoyloxy)phenyl)propanoic acid | CHEMBL1684955
TypeSmall organic molecule
Emp. Form.C19H20N2O5
Mol. Mass.356.3725
SMILESCN(C)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(O)=O)cc1 |r|
Structure
n/a