| Reaction Details |
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 | Report a problem with these data |
| Target | Integrin alpha-L |
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| Ligand | BDBM50021696 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1368331 (CHEMBL864781) |
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| IC50 | 117±n/a nM |
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| Citation |  Kollmann, CS; Bai, X; Tsai, CH; Yang, H; Lind, KE; Skinner, SR; Zhu, Z; Israel, DI; Cuozzo, JW; Morgan, BA; Yuki, K; Xie, C; Springer, TA; Shimaoka, M; Evindar, G Application of encoded library technology (ELT) to a protein-protein interaction target: discovery of a potent class of integrin lymphocyte function-associated antigen 1 (LFA-1) antagonists. Bioorg Med Chem22:2353-65 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Integrin alpha-L |
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| 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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| BDBM50021696 |
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| n/a |
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| Name | BDBM50021696 |
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| Synonyms: | CHEMBL3298196 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H36BrF3N8O4S |
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| Mol. Mass. | 801.676 |
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| SMILES | CCNC(=O)C1(Cc2ccccc2C1)Nc1nc(N[C@@H](C)c2ccc(Br)cc2)nc(n1)N1CC2CC1CN2S(=O)(=O)c1ccccc1OC(F)(F)F |r,THB:29:31:36.37:34,38:37:31.32:34| |
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| Structure | 
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