Ki Summary

Reaction Details

Report a problem with these data

Target

Integrin alpha-L

Ligand

BDBM50263656

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_535592 (CHEMBL987066)

IC50

2.4±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

BDBM50263656

n/a

Name

BDBM50263656

Synonyms:

(trans)-4-(3-(4-((E)-3-morpholino-3-oxoprop-1-enyl)-2,3-bis(trifluoromethyl)phenylthio)phenylamino)cyclohexanecarboxylic acid | CHEMBL515393

Type

Small organic molecule

Emp. Form.

C28H28F6N2O4S

Mol. Mass.

602.588

SMILES

OC(=O)[C@H]1CC[C@@H](CC1)Nc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1 |r,wU:3.2,wD:6.9,(-5.01,-21.38,;-6.35,-22.15,;-7.68,-21.39,;-6.35,-23.69,;-5.01,-24.46,;-5.01,-26,;-6.34,-26.77,;-7.68,-26.01,;-7.68,-24.47,;-6.33,-28.31,;-5,-29.08,;-5,-30.63,;-3.66,-31.4,;-2.33,-30.62,;-2.33,-29.07,;-1,-28.3,;.34,-29.06,;.34,-30.6,;1.67,-31.36,;3,-30.59,;4.34,-31.35,;5.67,-30.57,;7.01,-31.33,;7.02,-32.87,;8.34,-30.55,;9.68,-31.33,;11,-30.56,;11,-29.02,;9.66,-28.25,;8.32,-29.03,;2.99,-29.04,;1.66,-28.28,;1.64,-26.74,;1.63,-25.2,;.1,-26.75,;3.18,-26.74,;4.47,-28.64,;5.96,-28.23,;4.07,-27.15,;4.88,-30.12,;-3.67,-28.31,)|

Structure