| Reaction Details |
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 | Report a problem with these data |
| Target | Integrin alpha-4/beta-7 |
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| Ligand | BDBM50390576 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_835400 (CHEMBL2072106) |
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| IC50 | 7300±n/a nM |
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| Citation |  Papst, S; Noisier, AF; Brimble, MA; Yang, Y; Krissansen, GW Synthesis and biological evaluation of tyrosine modified analogues of thea4ß7 integrin inhibitor biotin-R8ERY. Bioorg Med Chem20:5139-49 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| Integrin alpha-4/beta-7 |
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| Name: | Integrin alpha-4/beta-7 |
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| Synonyms: | n/a |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 811525 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Integrin alpha-4 |
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| Synonyms: | CD49 antigen-like family member D | CD_antigen=CD49d | ITA4_MOUSE | Integrin alpha-IV | Itga4 | LPAM subunit alpha | Lymphocyte Peyer patch adhesion molecules subunit alpha | VLA-4 subunit alpha |
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| Type: | PROTEIN |
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| Mol. Mass.: | 115697.96 |
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| Organism: | Mus musculus |
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| Description: | EBI_104497 |
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| Residue: | 1039 |
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| Sequence: | MFSTKSAWLRNGGADQGPRGIALREAVMLLLYFGVPTGPSYNLDPENALLYQGPSGTLFG
YSVVLHSHGSKRWLIVGAPTASWLSNASVVNPGAIYRCGIRKNPNQTCEQLQSGSPSGEP
CGKTCLEERDNQWLGVTLSRQPGENGSIVTCGHRWKNIFYMKSDNKLPTGICYVMPSDLR
TELSKRMAPCYKDYTRKFGENFASCQAGISSFYTQDLIVMGAPGSSYWTGTVFVYNITTN
QYKAFVDRQNQVKFGSYLGYSVGAGHFRSPHTTEVVGGAPQHEQIGKAYIFSIDENELNI
VYEMKGKKLGSYFGASVCAVDLNADGFSDLLVGAPMQSTIREEGRVFVYINSGMGAVMVE
MERVLVGSDKYAARFGESIANLGDIDNDGFEDIAIGAPQEDDLRGAVYIYNGRVDGISST
YSQRIEGQQISKSLRMFGQSISGQIDADNNGYVDVAVGAFQSDSAVLLRTRPVVIVEASL
SHPESVNRTKFDCTENGLPSVCMHLTLCFSYKGKEVPGYIVLFYNVSLDVHRKAESPSRF
YFFSNGTSDVITGSIRVSSSGEKCRTHQAFMRKDVRDILTPIHVEATYHLGHHVITKRNT
EEFPPLQPILQQKKEKDVIRKMINFARFCAYENCSADLQVSAKVGFLKPYENKTYLAVGS
MKTIMLNVSLFNAGDDAYETTLNVQLPTGLYFIKILDLEEKQINCEVTESSGIVKLACSL
GYIYVDRLSRIDISFLLDVSSLSRAHEDLSISVHASCENEGELDQVRDNRVTLTIPLRYE
VMLTVHGLVNPTSFVYGSSEENEPETCMAEKLNLTFHVINTGISMAPNVSVKIMVPNSFL
PQDDKLFNVLDVQTTTGQCHFKHYGRECTFAQQKGIAGTLTDIVKFLSKTDKRLLYCMKA
DQHCLDFLCNFGKMESGKEASVHIQLEGRPSILEMDETSSLKFEIKATAFPEPHPKVIEL
NKDENVAHVFLEGLHHQRPKRHFTIIIITISLLLGLIVLLLISCVMWKAGFFKRQYKSIL
QEENRRDSWSYVNSKSNDD
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| Component 2 |
| Name: | Integrin beta-7 |
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| Synonyms: | ITB7_MOUSE | Integrin beta-P | Itgb7 | M290 IEL antigen |
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| Type: | PROTEIN |
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| Mol. Mass.: | 87394.96 |
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| Organism: | Mus musculus |
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| Description: | EBI_104498 |
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| Residue: | 806 |
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| Sequence: | MVDSSTVLIFLLVLGGGQSELDTKITSSGEAAEWEDPDLSLQGSCQPVPSCQKCILSHPS
CAWCKQLNFTASGEAEARRCARREELLARGCPAQELEEPRGRQEVLQDKPLSQGDRGEGA
TQLAPQRIRVTLRPGEPQKFRVRFLRAAGYPVDLYYLMDLSYSMKDDLERVRQLGHALLV
RLQEVTHSVRIGFGSFVDKTVLPFVSTVPSKLHHPCPSRLERCQPPFSFHHVLSLTGDAQ
AFEREVGRQNVSGNLDSPEGGFDAILQAALCQEQIGWRNVSRLLVFTSDDTFHTAGDGKL
GGIFMPSDGRCHLDSNGVYTNSAEFDYPSVGQVAQALTAANIQPIFAVTGATLPVYQELR
QLIPKSAVGELSEDSSNVVQLIMDAYDSLSSTVTLEHSPLPPGVSISFESHCKGPEKTEG
EAGDRGQCNDVRVNQTVDFWVTLQATHCLPEAHVLRLWALGFSEELTVELHTVCDCNCGD
AQPHAPYCSDGQGDLQCGICSCAPGRLGQLCECSEADLSSPDLESGCRAPNGTGPLCSGK
GRCQCGRCSCSGQSSGRLCECDDASCERHEGILCGGFGHCQCGVCHCHANHTGRACECSK
SVDSCVSPEGGLCSGHGYCKCNRCQCLDGYYGALCDQCLGCKSPCEQYRDCAECGAFGTG
PLAANCSVVCADVNVTLTLAPNLDDGWCKERTIDNQLFFFLVEHAASGIVLRVRPQEKGV
DHTRAIILGCTGGIVAVGLGLVLAYRLSVEIYDRREYRRFEKEQQQLNWKQDNNPLYKSA
ITTTVNPRFQGTNGRSPSLSLTREAD
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| BDBM50390576 |
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| n/a |
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| Name | BDBM50390576 |
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| Synonyms: | CHEMBL2069363 |
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| Type | Small organic molecule |
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| Emp. Form. | C84H144N40O16S |
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| Mol. Mass. | 2002.366 |
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| SMILES | [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#16]-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#7]-[#6@H]-1-2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](-[#8])=O |r| |
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| Structure | 
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