Ki Summary

Reaction Details

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Target

Integrin alpha-L

Ligand

BDBM50265284

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_497066 (CHEMBL997702)

IC50

810±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

BDBM50265284

n/a

Name

BDBM50265284

Synonyms:

(E)-3-(4-(3-((trans)-4-methylcyclohexyloxy)phenylthio)-2,3-bis(trifluoromethyl)phenyl)-1-morpholinoprop-2-en-1-one | CHEMBL526179

Type

Small organic molecule

Emp. Form.

C28H29F6NO3S

Mol. Mass.

573.59

SMILES

C[C@H]1CC[C@@H](CC1)Oc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1 |r,wU:4.7,wD:1.0,(18.36,-6.91,;18.35,-8.45,;17.01,-9.21,;17.01,-10.76,;18.33,-11.53,;19.68,-10.76,;19.68,-9.22,;18.33,-13.07,;19.67,-13.84,;19.67,-15.38,;21,-16.15,;22.34,-15.38,;22.33,-13.83,;23.66,-13.05,;25,-13.82,;25,-15.36,;26.33,-16.12,;27.67,-15.35,;29,-16.11,;30.33,-15.33,;31.67,-16.09,;33,-15.32,;31.68,-17.63,;30.34,-18.4,;30.35,-19.93,;31.68,-20.7,;33.02,-19.93,;33.01,-18.38,;27.66,-13.8,;26.32,-13.04,;26.31,-11.5,;26.3,-9.96,;24.77,-11.51,;27.85,-11.49,;28.98,-13.02,;30.31,-12.23,;29.76,-14.34,;28.97,-11.47,;21,-13.07,)|

Structure