Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetIntegrin alpha-3/beta-3
LigandBDBM50241180
Substrate/Competitorn/a
Meas. Tech.ChEMBL_643922 (CHEMBL1211821)
IC50 13000±n/a nM
Citation Krysko, AA; Krysko, OL; Kabanova, TA; Andronati, SA; Kabanov, VM Derivatives of tetrahydroisoquinoline: synthesis and initial evaluation of novel non-peptide antagonists of the alpha(IIb)beta(3)-integrin. Bioorg Med Chem Lett20:4444-6 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Integrin alpha-3/beta-3
Name:Integrin alpha-3/beta-3
Synonyms:n/a
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 643921
Components:This complex has 2 components.
Component 1
Name:Integrin beta-3
Synonyms:CD_antigen=CD61 | GP3A | GPIIIa | ITB3_HUMAN | ITGB3 | Integrin alpha-V/beta-3/alpha-V/beta-5 | 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:
Component 2
Name:Integrin alpha-3
Synonyms:CD49 antigen-like family member C | CD_antigen=CD49c | FRP-2 | GAPB3 | Galactoprotein B3 | ITA3_HUMAN | ITGA3 | Integrin alpha-3 heavy chain | Integrin alpha-3 light chain | MSK18 | VLA-3 alpha chain
Type:PROTEIN
Mol. Mass.:116614.45
Organism:Homo sapiens (Human)
Description:ChEMBL_559748
Residue:1051
Sequence:
MGPGPSRAPRAPRLMLCALALMVAAGGCVVSAFNLDTRFLVVKEAGNPGSLFGYSVALHR
QTERQQRYLLLAGAPRELAVPDGYTNRTGAVYLCPLTAHKDDCERMNITVKNDPGHHIIE
DMWLGVTVASQGPAGRVLVCAHRYTQVLWSGSEDQRRMVGKCYVRGNDLELDSSDDWQTY
HNEMCNSNTDYLETGMCQLGTSGGFTQNTVYFGAPGAYNWKGNSYMIQRKEWDLSEYSYK
DPEDQGNLYIGYTMQVGSFILHPKNITIVTGAPRHRHMGAVFLLSQEAGGDLRRRQVLEG
SQVGAYFGSAIALADLNNDGWQDLLVGAPYYFERKEEVGGAIYVFMNQAGTSFPAHPSLL
LHGPSGSAFGLSVASIGDINQDGFQDIAVGAPFEGLGKVYIYHSSSKGLLRQPQQVIHGE
KLGLPGLATFGYSLSGQMDVDENFYPDLLVGSLSDHIVLLRARPVINIVHKTLVPRPAVL
DPALCTATSCVQVELCFAYNQSAGNPNYRRNITLAYTLEADRDRRPPRLRFAGSESAVFH
GFFSMPEMRCQKLELLLMDNLRDKLRPIIISMNYSLPLRMPDRPRLGLRSLDAYPILNQA
QALENHTEVQFQKECGPDNKCESNLQMRAAFVSEQQQKLSRLQYSRDVRKLLLSINVTNT
RTSERSGEDAHEALLTLVVPPALLLSSVRPPGACQANETIFCELGNPFKRNQRMELLIAF
EVIGVTLHTRDLQVQLQLSTSSHQDNLWPMILTLLVDYTLQTSLSMVNHRLQSFFGGTVM
GESGMKTVEDVGSPLKYEFQVGPMGEGLVGLGTLVLGLEWPYEVSNGKWLLYPTEITVHG
NGSWPCRPPGDLINPLNLTLSDPGDRPSSPQRRRRQLDPGGGQGPPPVTLAAAKKAKSET
VLTCATGRAHCVWLECPIPDAPVVTNVTVKARVWNSTFIEDYRDFDRVRVNGWATLFLRT
SIPTINMENKTTWFSVDIDSELVEELPAEIELWLVLVAVGAGLLLLGLIILLLWKCGFFK
RARTRALYEAKRQKAEMKSQPSETERLTDDY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50241180
n/a
NameBDBM50241180
Synonyms:(6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hydroxy-1-imino-7,10,13-trioxo-2,8,11,14-tetraazahexadecane-15-carboxylic acid | (S)-3-[2-((S)-2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-((R)-1-carboxy-2-hydroxy-ethyl)-succinamic acid | (S)-3-[2-((S)-2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-((S)-1-carboxy-2-hydroxy-ethyl)-succinamic acid | 2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butylcarboxamidomethylcarboxamido]-2-carboxy-(1S)-ethylcarboxamido]-3-hydroxy-(2S)-propanoic acid | 2-{1-[1-amino-4-amino(imino)methylaminobutylcarboxamidomethylcarboxamido]-2-carboxyethylcarboxamido}-3-hydroxypropanoic acid | 3-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-(1-carboxy-2-hydroxy-ethyl)-succinamic acid | 3-[2-((S)-2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-((S)-1-carboxy-2-hydroxy-ethyl)-succinamic acid | 3-[2-(2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-(1-carboxy-2-hydroxy-ethyl)-succinamic acid | 3-[2-(2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-(1-carboxy-2-hydroxy-ethyl)-succinamic acid (RGDS) | CHEMBL265628 | RGDS
TypeSmall organic molecule
Emp. Form.C15H27N7O8
Mol. Mass.433.417
SMILES[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: