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Target
Integrin alpha-3
Ligand
BDBM50254207
Substrate
n/a
Meas. Tech.
ChEMBL_559748 (CHEMBL1013703)
IC50
340±n/a nM
Citation
 Yao, N; Xiao, W; Wang, X; Marik, J; Park, SH; Takada, Y; Lam, KS Discovery of targeting ligands for breast cancer cells using the one-bead one-compound combinatorial method. J Med Chem 52:126-33 (2009) [PubMed]  Article 
Target
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:
MGPGPSRAPRAPRLMLCALALMVAAGGCVVSAFNLDTRFLVVKEAGNPGSLFGYSVALHRQTERQQRYLLLAGAPRELAVPDGYTNRTGAVYLCPLTAHKDDCERMNITVKNDPGHHIIEDMWLGVTVASQGPAGRVLVCAHRYTQVLWSGSEDQRRMVGKCYVRGNDLELDSSDDWQTYHNEMCNSNTDYLETGMCQLGTSGGFTQNTVYFGAPGAYNWKGNSYMIQRKEWDLSEYSYKDPEDQGNLYIGYTMQVGSFILHPKNITIVTGAPRHRHMGAVFLLSQEAGGDLRRRQVLEGSQVGAYFGSAIALADLNNDGWQDLLVGAPYYFERKEEVGGAIYVFMNQAGTSFPAHPSLLLHGPSGSAFGLSVASIGDINQDGFQDIAVGAPFEGLGKVYIYHSSSKGLLRQPQQVIHGEKLGLPGLATFGYSLSGQMDVDENFYPDLLVGSLSDHIVLLRARPVINIVHKTLVPRPAVLDPALCTATSCVQVELCFAYNQSAGNPNYRRNITLAYTLEADRDRRPPRLRFAGSESAVFHGFFSMPEMRCQKLELLLMDNLRDKLRPIIISMNYSLPLRMPDRPRLGLRSLDAYPILNQAQALENHTEVQFQKECGPDNKCESNLQMRAAFVSEQQQKLSRLQYSRDVRKLLLSINVTNTRTSERSGEDAHEALLTLVVPPALLLSSVRPPGACQANETIFCELGNPFKRNQRMELLIAFEVIGVTLHTRDLQVQLQLSTSSHQDNLWPMILTLLVDYTLQTSLSMVNHRLQSFFGGTVMGESGMKTVEDVGSPLKYEFQVGPMGEGLVGLGTLVLGLEWPYEVSNGKWLLYPTEITVHGNGSWPCRPPGDLINPLNLTLSDPGDRPSSPQRRRRQLDPGGGQGPPPVTLAAAKKAKSETVLTCATGRAHCVWLECPIPDAPVVTNVTVKARVWNSTFIEDYRDFDRVRVNGWATLFLRTSIPTINMENKTTWFSVDIDSELVEELPAEIELWLVLVAVGAGLLLLGLIILLLWKCGFFKRARTRALYEAKRQKAEMKSQPSETERLTDDY
  
Inhibitor
Name:
BDBM50254207
Synonyms:
2-((3S,6R,11R,14R,20S,28aS)-11-amino-6-carbamoyl-20-(cyclohexylmethyl)-27-hydroxy-1,4,12,15,18,21,24-heptaoxo-3-phenethylhexacosahydropyrrolo[2,1-j][1,2,5,8,11,14,17,20,23]dithiaheptaazacyclohexacosin-14-yl)acetic acid | CHEMBL2372229
Type:
Small organic molecule
Emp. Form.:
C38H55N9O11S2
Mol. Mass.:
878.027
SMILES:
[H][C@@]12C[C@@H](O)CN1C(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCc1ccccc1)NC2=O)C(N)=O |r|
Structure:
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