Ki Summary

Reaction Details

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Target

Integrin alpha-L

Ligand

BDBM50265285

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_497066 (CHEMBL997702)

IC50

4±n/a nM

Citation

Lin, EY; Guckian, KM; Silvian, L; Chin, D; Boriack-Sjodin, PA; van Vlijmen, H; Friedman, JE; Scott, DM Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors. Bioorg Med Chem Lett18:5245-8 (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

BDBM50265285

n/a

Name

BDBM50265285

Synonyms:

(cis)-4-(2-(4-((E)-3-morpholino-3-oxoprop-1-enyl)-2,3-bis(trifluoromethyl)phenylthio)phenoxy)cyclohexanecarboxylic acid | CHEMBL502512

Type

Small organic molecule

Emp. Form.

C28H27F6NO5S

Mol. Mass.

603.573

SMILES

OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(c1C(F)(F)F)C(F)(F)F |r,wU:6.9,3.2,(-5.15,-20.16,;-5.15,-21.7,;-6.48,-22.47,;-3.81,-22.48,;-3.81,-24.02,;-2.47,-24.79,;-1.13,-24.02,;-1.14,-22.47,;-2.47,-21.71,;.2,-24.79,;.21,-26.33,;-1.12,-27.1,;-1.12,-28.64,;.21,-29.41,;1.55,-28.64,;1.54,-27.09,;2.87,-26.32,;4.21,-27.08,;4.21,-28.62,;5.54,-29.38,;6.88,-28.61,;8.21,-29.37,;9.54,-28.59,;10.88,-29.36,;12.21,-28.58,;10.89,-30.9,;9.55,-31.66,;9.56,-33.19,;10.89,-33.97,;12.23,-33.19,;12.22,-31.65,;6.87,-27.06,;5.53,-26.3,;5.52,-24.76,;5.51,-23.22,;3.98,-24.77,;7.06,-24.75,;8.19,-26.28,;9.52,-25.5,;8.97,-27.61,;8.18,-24.73,)|

Structure