| Reaction Details |
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 | Report a problem with these data |
| Target | Integrin alpha-L/Intercellular adhesion molecule 1 |
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| Ligand | BDBM50161074 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_306787 (CHEMBL832372) |
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| IC50 | 5700±n/a nM |
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| Citation |  Wattanasin, S; Kallen, J; Myers, S; Guo, Q; Sabio, M; Ehrhardt, C; Albert, R; Hommel, U; Weckbecker, G; Welzenbach, K; Weitz-Schmidt, G 1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1. Bioorg Med Chem Lett15:1217-20 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Integrin alpha-L/Intercellular adhesion molecule 1 |
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| Name: | Integrin alpha-L/Intercellular adhesion molecule 1 |
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| Synonyms: | Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha |
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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 90530 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Integrin alpha-L |
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| Synonyms: | CD11 antigen-like family member A | CD11A | CD_antigen=CD11a | ITAL_HUMAN | ITGAL | Integrin alpha-L/beta-2 (LFA-1) | LFA-1A | Leukocyte adhesion glycoprotein LFA-1 alpha | Leukocyte adhesion glycoprotein LFA-1 alpha chain | Leukocyte function-associated molecule 1 alpha chain |
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| Type: | PROTEIN |
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| Mol. Mass.: | 128748.90 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_629045 |
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| Residue: | 1170 |
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| Sequence: | MKDSCITVMAMALLSGFFFFAPASSYNLDVRGARSFSPPRAGRHFGYRVLQVGNGVIVGA
PGEGNSTGSLYQCQSGTGHCLPVTLRGSNYTSKYLGMTLATDPTDGSILACDPGLSRTCD
QNTYLSGLCYLFRQNLQGPMLQGRPGFQECIKGNVDLVFLFDGSMSLQPDEFQKILDFMK
DVMKKLSNTSYQFAAVQFSTSYKTEFDFSDYVKRKDPDALLKHVKHMLLLTNTFGAINYV
ATEVFREELGARPDATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHFQTKESQETLH
KFASKPASEFVKILDTFEKLKDLFTELQKKIYVIEGTSKQDLTSFNMELSSSGISADLSR
GHAVVGAVGAKDWAGGFLDLKADLQDDTFIGNEPLTPEVRAGYLGYTVTWLPSRQKTSLL
ASGAPRYQHMGRVLLFQEPQGGGHWSQVQTIHGTQIGSYFGGELCGVDVDQDGETELLLI
GAPLFYGEQRGGRVFIYQRRQLGFEEVSELQGDPGYPLGRFGEAITALTDINGDGLVDVA
VGAPLEEQGAVYIFNGRHGGLSPQPSQRIEGTQVLSGIQWFGRSIHGVKDLEGDGLADVA
VGAESQMIVLSSRPVVDMVTLMSFSPAEIPVHEVECSYSTSNKMKEGVNITICFQIKSLI
PQFQGRLVANLTYTLQLDGHRTRRRGLFPGGRHELRRNIAVTTSMSCTDFSFHFPVCVQD
LISPINVSLNFSLWEEEGTPRDQRAQGKDIPPILRPSLHSETWEIPFEKNCGEDKKCEAN
LRVSFSPARSRALRLTAFASLSVELSLSNLEEDAYWVQLDLHFPPGLSFRKVEMLKPHSQ
IPVSCEELPEESRLLSRALSCNVSSPIFKAGHSVALQMMFNTLVNSSWGDSVELHANVTC
NNEDSDLLEDNSATTIIPILYPINILIQDQEDSTLYVSFTPKGPKIHQVKHMYQVRIQPS
IHDHNIPTLEAVVGVPQPPSEGPITHQWSVQMEPPVPCHYEDLERLPDAAEPCLPGALFR
CPVVFRQEILVQVIGTLELVGEIEASSMFSLCSSLSISFNSSKHFHLYGSNASLAQVVMK
VDVVYEKQMLYLYVLSGIGGLLLLLLIFIVLYKVGFFKRNLKEKMEAGRGVPNGIPAEDS
EQLASGQEAGDPGCLKPLHEKDSESGGGKD
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| Component 2 |
| Name: | Intercellular adhesion molecule 1 |
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| Synonyms: | CD_antigen=CD54 | ICAM-1 | ICAM1 | ICAM1_HUMAN | Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 | Intercellular adhesion molecule 1 | Intercellular adhesion molecule-1 | Major group rhinovirus receptor |
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| Type: | PROTEIN |
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| Mol. Mass.: | 57831.10 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_826675 |
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| Residue: | 532 |
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| Sequence: | MAPSSPRPALPALLVLLGALFPGPGNAQTSVSPSKVILPRGGSVLVTCSTSCDQPKLLGI
ETPLPKKELLLPGNNRKVYELSNVQEDSQPMCYSNCPDGQSTAKTFLTVYWTPERVELAP
LPSWQPVGKNLTLRCQVEGGAPRANLTVVLLRGEKELKREPAVGEPAEVTTTVLVRRDHH
GANFSCRTELDLRPQGLELFENTSAPYQLQTFVLPATPPQLVSPRVLEVDTQGTVVCSLD
GLFPVSEAQVHLALGDQRLNPTVTYGNDSFSAKASVSVTAEDEGTQRLTCAVILGNQSQE
TLQTVTIYSFPAPNVILTKPEVSEGTEVTVKCEAHPRAKVTLNGVPAQPLGPRAQLLLKA
TPEDNGRSFSCSATLEVAGQLIHKNQTRELRVLYGPRLDERDCPGNWTWPENSQQTPMCQ
AWGNPLPELKCLKDGTFPLPIGESVTVTRDLEGTYLCRARSTQGEVTRKVTVNVLSPRYE
IVIITVVAAAVIMGTAGLSTYLYNRQRKIKKYRLQQAQKGTPMKPNTQATPP
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| BDBM50161074 |
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| n/a |
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| Name | BDBM50161074 |
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| Synonyms: | (R)-2-((S)-3-Isobutyl-2,5-dioxo-4-quinolin-3-ylmethyl-[1,4]diazepan-1-yl)-N-methyl-3-naphthalen-2-yl-propionamide | CHEMBL368009 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H36N4O3 |
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| Mol. Mass. | 536.6639 |
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| SMILES | CNC(=O)[C@@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O |
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| Structure | 
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