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TargetIntercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha
LigandBDBM50324823
Substrate/Competitorn/a
Meas. Tech.ChEMBL_651428
IC50 13±n/a nM
Citation Zhong MShen WBarr KJArbitrario JPArkin MRBui MChen TCunningham BCEvanchik MJHanan EJHoch UHuen KHyde JKumer JLLac TLawrence CEMartell JROslob JDPaulvannan KPrabhu SSilverman JAWright JYu CHZhu JFlanagan WM Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists. Bioorg Med Chem Lett 20:5269-73 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha
Name:Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha
Synonyms:n/a
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of EBI is 651428
Components:This complex has 2 components.
Component 1
Name:Integrin alpha-L/beta-2 (LFA-1)
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:84785.60
Organism:Homo sapiens (Human)
Description:EBI_12662
Residue:769
Sequence:
MLGLRPPLLALVGLLSLGCVLSQECTKFKVSSCRECIESGPGCTWCQKLNFTGPGDPDSI
RCDTRPQLLMRGCAADDIMDPTSLAETQEDHNGGQKQLSPQKVTLYLRPGQAAAFNVTFR
RAKGYPIDLYYLMDLSYSMLDDLRNVKKLGGDLLRALNEITESGRIGFGSFVDKTVLPFV
NTHPDKLRNPCPNKEKECQPPFAFRHVLKLTNNSNQFQTEVGKQLISGNLDAPEGGLDAM
MQVAACPEEIGWRNVTRLLVFATDDGFHFAGDGKLGAILTPNDGRCHLEDNLYKRSNEFD
YPSVGQLAHKLAENNIQPIFAVTSRMVKTYEKLTEIIPKSAVGELSEDSSNVVQLIKNAY
NKLSSRVFLDHNALPDTLKVTYDSFCSNGVTHRNQPRGDCDGVQINVPITFQVKVTATEC
IQEQSFVIRALGFTDIVTVQVLPQCECRCRDQSRDRSLCHGKGFLECGICRCDTGYIGKN
CECQTQGRSSQELEGSCRKDNNSIICSGLGDCVCGQCLCHTSDVPGKLIYGQYCECDTIN
CERYNGQVCGGPGRGLCFCGKCRCHPGFEGSACQCERTTEGCLNPRRVECSGRGRCRCNV
CECHSGYQLPLCQECPGCPSPCGKYISCAECLKFEKGPFGKNCSAACPGLQLSNNPVKGR
TCKERDSEGCWVAYTLEQQDGMDRYLIYVDESRECVAGPNIAAIVGGTVAGIVLIGILLL
VIWKALIHLSDLREYRRFEKEKLKSQWNNDNPLFKSATTTVMNPKFAES
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Component 2
Name:Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2
Synonyms:CD_antigen=CD54 | ICAM-1 | Intercellular adhesion molecule 1 | Intercellular adhesion molecule-1 | Major group rhinovirus receptor
Type:PROTEIN
Mol. Mass.:57831.10
Organism:Homo sapiens (Human)
Description:ChEMBL_826675
Residue:532
Sequence:
MAPSSPRPALPALLVLLGALFPGPGNAQTSVSPSKVILPRGGSVLVTCSTSCDQPKLLGI
ETPLPKKELLLPGNNRKVYELSNVQEDSQPMCYSNCPDGQSTAKTFLTVYWTPERVELAP
LPSWQPVGKNLTLRCQVEGGAPRANLTVVLLRGEKELKREPAVGEPAEVTTTVLVRRDHH
GANFSCRTELDLRPQGLELFENTSAPYQLQTFVLPATPPQLVSPRVLEVDTQGTVVCSLD
GLFPVSEAQVHLALGDQRLNPTVTYGNDSFSAKASVSVTAEDEGTQRLTCAVILGNQSQE
TLQTVTIYSFPAPNVILTKPEVSEGTEVTVKCEAHPRAKVTLNGVPAQPLGPRAQLLLKA
TPEDNGRSFSCSATLEVAGQLIHKNQTRELRVLYGPRLDERDCPGNWTWPENSQQTPMCQ
AWGNPLPELKCLKDGTFPLPIGESVTVTRDLEGTYLCRARSTQGEVTRKVTVNVLSPRYE
IVIITVVAAAVIMGTAGLSTYLYNRQRKIKKYRLQQAQKGTPMKPNTQATPP
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BDBM50324823
n/a
NameBDBM50324823
Synonyms:(S)-2-(5,7-dichloro-2-(2,3-dihydrobenzofuran-6-carbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(thiophene-2-carboxamido)propanoic acid | CHEMBL1222289
TypeSmall organic molecule
Emp. Form.C27H23Cl2N3O6S
Mol. Mass.588.459
SMILESOC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2CCOc2c1 |r|
Structure
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