Reaction Details |
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Target | Integrin alpha-4/beta-7 |
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Ligand | BDBM50144751 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_217618 (CHEMBL820361) |
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IC50 | 2.2±n/a nM |
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Citation | Kamenecka, TM; Park, YJ; Lin, LS; de Laszlo, S; McCauley, ED; Van Riper, G; Egger, L; Kidambi, U; Mumford, RA; Tong, S; Tang, W; Colletti, A; Teffera, Y; Stearns, R; MacCoss, M; Schmidt, JA; Hagmann, WK Amidines as amide bond replacements in VLA-4 antagonists. Bioorg Med Chem Lett14:2323-6 (2004) [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 |
Synonyms: | Integrin α4β7 | Integrin alpha-4/beta-7 | Integrin alpha-4/beta7 | Integrin alpha4beta7 |
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 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: | MAWEARREPGPRRAAVRETVMLLLCLGVPTGRPYNVDTESALLYQGPHNTLFGYSVVLHS
HGANRWLLVGAPTANWLANASVINPGAIYRCRIGKNPGQTCEQLQLGSPNGEPCGKTCLE
ERDNQWLGVTLSRQPGENGSIVTCGHRWKNIFYIKNENKLPTGGCYGVPPDLRTELSKRI
APCYQDYVKKFGENFASCQAGISSFYTKDLIVMGAPGSSYWTGSLFVYNITTNKYKAFLD
KQNQVKFGSYLGYSVGAGHFRSQHTTEVVGGAPQHEQIGKAYIFSIDEKELNILHEMKGK
KLGSYFGASVCAVDLNADGFSDLLVGAPMQSTIREEGRVFVYINSGSGAVMNAMETNLVG
SDKYAARFGESIVNLGDIDNDGFEDVAIGAPQEDDLQGAIYIYNGRADGISSTFSQRIEG
LQISKSLSMFGQSISGQIDADNNGYVDVAVGAFRSDSAVLLRTRPVVIVDASLSHPESVN
RTKFDCVENGWPSVCIDLTLCFSYKGKEVPGYIVLFYNMSLDVNRKAESPPRFYFSSNGT
SDVITGSIQVSSREANCRTHQAFMRKDVRDILTPIQIEAAYHLGPHVISKRSTEEFPPLQ
PILQQKKEKDIMKKTINFARFCAHENCSADLQVSAKIGFLKPHENKTYLAVGSMKTLMLN
VSLFNAGDDAYETTLHVKLPVGLYFIKILELEEKQINCEVTDNSGVVQLDCSIGYIYVDH
LSRIDISFLLDVSSLSRAEEDLSITVHATCENEEEMDNLKHSRVTVAIPLKYEVKLTVHG
FVNPTSFVYGSNDENEPETCMVEKMNLTFHVINTGNSMAPNVSVEIMVPNSFSPQTDKLF
NILDVQTTTGECHFENYQRVCALEQQKSAMQTLKGIVRFLSKTDKRLLYCIKADPHCLNF
LCNFGKMESGKEASVHIQLEGRPSILEMDETSALKFEIRATGFPEPNPRVIELNKDENVA
HVLLEGLHHQRPKRYFTIVIISSSLLLGLIVLLLISYVMWKAGFFKRQYKSILQEENRRD
SWSYINSKSNDD
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Component 2 |
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: | MVALPMVLVLLLVLSRGESELDAKIPSTGDATEWRNPHLSMLGSCQPAPSCQKCILSHPS
CAWCKQLNFTASGEAEARRCARREELLARGCPLEELEEPRGQQEVLQDQPLSQGARGEGA
TQLAPQRVRVTLRPGEPQQLQVRFLRAEGYPVDLYYLMDLSYSMKDDLERVRQLGHALLV
RLQEVTHSVRIGFGSFVDKTVLPFVSTVPSKLRHPCPTRLERCQSPFSFHHVLSLTGDAQ
AFEREVGRQSVSGNLDSPEGGFDAILQAALCQEQIGWRNVSRLLVFTSDDTFHTAGDGKL
GGIFMPSDGHCHLDSNGLYSRSTEFDYPSVGQVAQALSAANIQPIFAVTSAALPVYQELS
KLIPKSAVGELSEDSSNVVQLIMDAYNSLSSTVTLEHSSLPPGVHISYESQCEGPEKREG
KAEDRGQCNHVRINQTVTFWVSLQATHCLPEPHLLRLRALGFSEELIVELHTLCDCNCSD
TQPQAPHCSDGQGHLQCGVCSCAPGRLGRLCECSVAELSSPDLESGCRAPNGTGPLCSGK
GHCQCGRCSCSGQSSGHLCECDDASCERHEGILCGGFGRCQCGVCHCHANRTGRACECSG
DMDSCISPEGGLCSGHGRCKCNRCQCLDGYYGALCDQCPGCKTPCERHRDCAECGAFRTG
PLATNCSTACAHTNVTLALAPILDDGWCKERTLDNQLFFFLVEDDARGTVVLRVRPQEKG
ADHTQAIVLGCVGGIVAVGLGLVLAYRLSVEIYDRREYSRFEKEQQQLNWKQDSNPLYKS
AITTTINPRFQEADSPTL
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BDBM50144751 |
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n/a |
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Name | BDBM50144751 |
Synonyms: | (S)-2-({((S)-1-Benzenesulfonyl-azetidin-2-yl)-[(Z)-methanesulfonylimino]-methyl}-amino)-3-(2',6'-dimethoxy-biphenyl-4-yl)-propionic acid | CHEMBL74437 |
Type | Small organic molecule |
Emp. Form. | C28H31N3O8S2 |
Mol. Mass. | 601.691 |
SMILES | COc1cccc(OC)c1-c1ccc(C[C@H](N=C(NS(C)(=O)=O)[C@@H]2CCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |w:17.18| |
Structure |
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