Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetITGAV/ITGB3
LigandBDBM50078714
Substrate/Competitorn/a
Meas. Tech.ChEBML_214764
Ki 4±n/a nM
Citation Miller WHBondinell WECousins RDErhard KFJakas DRKeenan RMKu TWNewlander KARoss STHaltiwanger RCBradbeer JDrake FHGowen MHoffman SJHwang SMJames IELark MWLechowska BRieman DJStroup GBVasko-Moser JAZembryki DLAzzarano LMAdams PCHuffman WF Orally bioavailable nonpeptide vitronectin receptor antagonists with efficacy in an osteoporosis model. Bioorg Med Chem Lett 9:1807-12 (1999) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
ITGAV/ITGB3
Name:ITGAV/ITGB3
Synonyms:Integrin alpha-V/beta-3 | Integrin beta-3/Vitronectin receptor alpha
Type:Enzyme
Mol. Mass.:n/a
Description:n/a
Components:This complex has 2 components.
Component 1
Name:Integrin alpha-V/alpha-5
Synonyms:ITGAV | MSK8 | Vitronectin receptor | Vitronectin receptor subunit alpha
Type:PROTEIN
Mol. Mass.:116024.92
Organism:Homo sapiens (Human)
Description:ChEMBL_582336
Residue:1048
Sequence:
MAFPPRRRLRLGPRGLPLLLSGLLLPLCRAFNLDVDSPAEYSGPEGSYFGFAVDFFVPSA
SSRMFLLVGAPKANTTQPGIVEGGQVLKCDWSSTRRCQPIEFDATGNRDYAKDDPLEFKS
HQWFGASVRSKQDKILACAPLYHWRTEMKQEREPVGTCFLQDGTKTVEYAPCRSQDIDAD
GQGFCQGGFSIDFTKADRVLLGGPGSFYWQGQLISDQVAEIVSKYDPNVYSIKYNNQLAT
RTAQAIFDDSYLGYSVAVGDFNGDGIDDFVSGVPRAARTLGMVYIYDGKNMSSLYNFTGE
QMAAYFGFSVAATDINGDDYADVFIGAPLFMDRGSDGKLQEVGQVSVSLQRASGDFQTTK
LNGFEVFARFGSAIAPLGDLDQDGFNDIAIAAPYGGEDKKGIVYIFNGRSTGLNAVPSQI
LEGQWAARSMPPSFGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRARPVITVNAGLEVY
PSILNQDNKTCSLPGTALKVSCFNVRFCLKADGKGVLPRKLNFQVELLLDKLKQKGAIRR
ALFLYSRSPSHSKNMTISRGGLMQCEELIAYLRDESEFRDKLTPITIFMEYRLDYRTAAD
TTGLQPILNQFTPANISRQAHILLDCGEDNVCKPKLEVSVDSDQKKIYIGDDNPLTLIVK
AQNQGEGAYEAELIVSIPLQADFIGVVRNNEALARLSCAFKTENQTRQVVCDLGNPMKAG
TQLLAGLRFSVHQQSEMDTSVKFDLQIQSSNLFDKVSPVVSHKVDLAVLAAVEIRGVSSP
DHVFLPIPNWEHKENPETEEDVGPVVQHIYELRNNGPSSFSKAMLHLQWPYKYNNNTLLY
ILHYDIDGPMNCTSDMEINPLRIKISSLQTTEKNDTVAGQGERDHLITKRDLALSEGDIH
TLGCGVAQCLKIVCQVGRLDRGKSAILYVKSLLWTETFMNKENQNHSYSLKSSASFNVIE
FPYKNLPIEDITNSTLVTTNVTWGIQPAPMPVPVWVIILAVLAGLLLLAVLVFVMYRMGF
FKRVRPPQEEQEREQLQPHENGEGNSET
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Integrin alpha-V/beta-3/alpha-V/beta-5
Synonyms:CD_antigen=CD61 | GP3A | GPIIIa | Platelet membrane glycoprotein IIIa
Type:Protein
Mol. Mass.:87038.91
Organism:Homo sapiens (Human)
Description:P05106
Residue:788
Sequence:
MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLG
SPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRP
DDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFG
AFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSR
NRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCH
VGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLS
MDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDT
VSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGT
FECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFG
KITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLL
CSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRY
CRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDIL
VVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTF
TNITYRGT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50078714
n/a
NameBDBM50078714
Synonyms:CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-ylamino)-propoxy]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-10-yl}-acetic acid | {3-[3-(Pyridin-2-ylamino)-propoxy]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-10-yl}-acetic acid
TypeSmall organic molecule
Emp. Form.C25H26N2O3
Mol. Mass.402.4855
SMILESOC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: