| Reaction Details |
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 | Report a problem with these data |
| Target | Integrin alpha-4 |
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| Ligand | BDBM61070 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | SAR Confirmatory Dose Response LIBS Assay for Allosteric Ligands of the VLA-4 Integrin |
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| EC50 | 11820±n/a nM |
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| Citation |  PubChem, PC SAR Confirmatory Dose Response LIBS Assay for Allosteric Ligands of the VLA-4 Integrin PubChem Bioassay(2010)[AID] |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Integrin alpha-4 |
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| Name: | Integrin alpha-4 |
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| 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 |
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| Type: | Membrane Protein |
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| Mol. Mass.: | 114897.35 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P13612 |
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| Residue: | 1032 |
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| Sequence: | MAWEARREPGPRRAAVRETVMLLLCLGVPTGRPYNVDTESALLYQGPHNTLFGYSVVLHS
HGANRWLLVGAPTANWLANASVINPGAIYRCRIGKNPGQTCEQLQLGSPNGEPCGKTCLE
ERDNQWLGVTLSRQPGENGSIVTCGHRWKNIFYIKNENKLPTGGCYGVPPDLRTELSKRI
APCYQDYVKKFGENFASCQAGISSFYTKDLIVMGAPGSSYWTGSLFVYNITTNKYKAFLD
KQNQVKFGSYLGYSVGAGHFRSQHTTEVVGGAPQHEQIGKAYIFSIDEKELNILHEMKGK
KLGSYFGASVCAVDLNADGFSDLLVGAPMQSTIREEGRVFVYINSGSGAVMNAMETNLVG
SDKYAARFGESIVNLGDIDNDGFEDVAIGAPQEDDLQGAIYIYNGRADGISSTFSQRIEG
LQISKSLSMFGQSISGQIDADNNGYVDVAVGAFRSDSAVLLRTRPVVIVDASLSHPESVN
RTKFDCVENGWPSVCIDLTLCFSYKGKEVPGYIVLFYNMSLDVNRKAESPPRFYFSSNGT
SDVITGSIQVSSREANCRTHQAFMRKDVRDILTPIQIEAAYHLGPHVISKRSTEEFPPLQ
PILQQKKEKDIMKKTINFARFCAHENCSADLQVSAKIGFLKPHENKTYLAVGSMKTLMLN
VSLFNAGDDAYETTLHVKLPVGLYFIKILELEEKQINCEVTDNSGVVQLDCSIGYIYVDH
LSRIDISFLLDVSSLSRAEEDLSITVHATCENEEEMDNLKHSRVTVAIPLKYEVKLTVHG
FVNPTSFVYGSNDENEPETCMVEKMNLTFHVINTGNSMAPNVSVEIMVPNSFSPQTDKLF
NILDVQTTTGECHFENYQRVCALEQQKSAMQTLKGIVRFLSKTDKRLLYCIKADPHCLNF
LCNFGKMESGKEASVHIQLEGRPSILEMDETSALKFEIRATGFPEPNPRVIELNKDENVA
HVLLEGLHHQRPKRYFTIVIISSSLLLGLIVLLLISYVMWKAGFFKRQYKSILQEENRRD
SWSYINSKSNDD
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| BDBM61070 |
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| n/a |
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| Name | BDBM61070 |
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| Synonyms: | (Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-[4-(difluoromethoxy)phenyl]-2-propenoic acid ethyl ester | (Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-[4-(difluoromethoxy)phenyl]acrylic acid ethyl ester | MLS000417101 | SMR000264333 | cid_6217704 | ethyl (Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enoate | ethyl (Z)-3-[4-[bis(fluoranyl)methoxy]phenyl]-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]prop-2-enoate |
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| Type | Small organic molecule |
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| Emp. Form. | C22H17ClF2N4O3S |
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| Mol. Mass. | 490.91 |
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| SMILES | CCOC(=O)C(=Cc1ccc(OC(F)F)cc1)C1=Nn2c(SC1)nnc2-c1ccc(Cl)cc1 |w:6.6,t:18| |
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| Structure | 
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