Ki Summary

Reaction Details

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Target

Integrin alpha-L

Ligand

BDBM50263658

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_535592 (CHEMBL987066)

IC50

45±n/a nM

Citation

Guckian, KM; Lin, EY; Silvian, L; Friedman, JE; Chin, D; Scott, DM Design and synthesis of a series of meta aniline-based LFA-1 ICAM inhibitors. Bioorg Med Chem Lett18:5249-51 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Integrin alpha-L

Name:

Integrin alpha-L

Synonyms:

Type:

PROTEIN

Mol. Mass.:

128748.90

Organism:

Homo sapiens (Human)

Description:

ChEMBL_629045

Residue:

1170

Sequence:

MKDSCITVMAMALLSGFFFFAPASSYNLDVRGARSFSPPRAGRHFGYRVLQVGNGVIVGA
PGEGNSTGSLYQCQSGTGHCLPVTLRGSNYTSKYLGMTLATDPTDGSILACDPGLSRTCD
QNTYLSGLCYLFRQNLQGPMLQGRPGFQECIKGNVDLVFLFDGSMSLQPDEFQKILDFMK
DVMKKLSNTSYQFAAVQFSTSYKTEFDFSDYVKRKDPDALLKHVKHMLLLTNTFGAINYV
ATEVFREELGARPDATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHFQTKESQETLH
KFASKPASEFVKILDTFEKLKDLFTELQKKIYVIEGTSKQDLTSFNMELSSSGISADLSR
GHAVVGAVGAKDWAGGFLDLKADLQDDTFIGNEPLTPEVRAGYLGYTVTWLPSRQKTSLL
ASGAPRYQHMGRVLLFQEPQGGGHWSQVQTIHGTQIGSYFGGELCGVDVDQDGETELLLI
GAPLFYGEQRGGRVFIYQRRQLGFEEVSELQGDPGYPLGRFGEAITALTDINGDGLVDVA
VGAPLEEQGAVYIFNGRHGGLSPQPSQRIEGTQVLSGIQWFGRSIHGVKDLEGDGLADVA
VGAESQMIVLSSRPVVDMVTLMSFSPAEIPVHEVECSYSTSNKMKEGVNITICFQIKSLI
PQFQGRLVANLTYTLQLDGHRTRRRGLFPGGRHELRRNIAVTTSMSCTDFSFHFPVCVQD
LISPINVSLNFSLWEEEGTPRDQRAQGKDIPPILRPSLHSETWEIPFEKNCGEDKKCEAN
LRVSFSPARSRALRLTAFASLSVELSLSNLEEDAYWVQLDLHFPPGLSFRKVEMLKPHSQ
IPVSCEELPEESRLLSRALSCNVSSPIFKAGHSVALQMMFNTLVNSSWGDSVELHANVTC
NNEDSDLLEDNSATTIIPILYPINILIQDQEDSTLYVSFTPKGPKIHQVKHMYQVRIQPS
IHDHNIPTLEAVVGVPQPPSEGPITHQWSVQMEPPVPCHYEDLERLPDAAEPCLPGALFR
CPVVFRQEILVQVIGTLELVGEIEASSMFSLCSSLSISFNSSKHFHLYGSNASLAQVVMK
VDVVYEKQMLYLYVLSGIGGLLLLLLIFIVLYKVGFFKRNLKEKMEAGRGVPNGIPAEDS
EQLASGQEAGDPGCLKPLHEKDSESGGGKD

BDBM50263658

n/a

Name

BDBM50263658

Synonyms:

(cis/trans)-(E)-ethyl 4-(3-(4-(3-morpholino-3-oxoprop-1-enyl)-2,3-bis(trifluoromethyl)phenylthio)phenylamino)cyclohexanecarboxylate | CHEMBL509676

Type

Small organic molecule

Emp. Form.

C30H32F6N2O4S

Mol. Mass.

630.641

SMILES

CCOC(=O)C1CCC(CC1)Nc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1 |(-10.09,-33.58,;-8.75,-34.34,;-7.42,-33.57,;-6.09,-34.34,;-4.75,-33.57,;-6.08,-35.88,;-4.75,-36.65,;-4.74,-38.18,;-6.07,-38.96,;-7.41,-38.2,;-7.41,-36.66,;-6.07,-40.5,;-4.73,-41.27,;-4.73,-42.81,;-3.4,-43.58,;-2.06,-42.81,;-2.07,-41.26,;-.74,-40.49,;.6,-41.25,;.6,-42.79,;1.93,-43.55,;3.27,-42.78,;4.61,-43.54,;5.93,-42.76,;7.27,-43.52,;7.28,-45.06,;8.6,-42.74,;9.94,-43.52,;11.26,-42.75,;11.26,-41.2,;9.92,-40.44,;8.59,-41.21,;3.25,-41.23,;1.92,-40.47,;1.91,-38.93,;1.9,-37.39,;.37,-38.94,;3.45,-38.92,;4.74,-40.83,;6.22,-40.42,;4.33,-39.34,;5.14,-42.31,;-3.4,-40.5,)|

Structure