peptide ligand 2 [PMID: 19055415]   Click here for help

GtoPdb Ligand ID: 8849

Synonyms: (cdGTyr(3-NO2)GBNc | LXY3
Comment: Peptide ligand 2 has amino acid sequence cdGTyr(3-NO2)GBNc, where B=hydroxyproline [1].
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2D Structure
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Canonical SMILES O[C@@H]1C[C@@H]2N(C1)C(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)CC(=O)N)C(=O)N)N)Cc1ccc(c(c1)[N+](=O)[O-])O
Isomeric SMILES C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC2=O)Cc1cc(c(cc1)O)[N+](=O)[O-])CC(=O)O)N)C(=O)N)CC(=O)N)O
InChI InChI=1S/C32H43N11O15S2/c33-15-11-59-60-12-19(27(35)51)41-31(55)17(6-23(34)46)40-32(56)21-5-14(44)10-42(21)25(48)9-37-29(53)16(3-13-1-2-22(45)20(4-13)43(57)58)38-24(47)8-36-30(54)18(7-26(49)50)39-28(15)52/h1-2,4,14-19,21,44-45H,3,5-12,33H2,(H2,34,46)(H2,35,51)(H,36,54)(H,37,53)(H,38,47)(H,39,52)(H,40,56)(H,41,55)(H,49,50)/t14-,15+,16+,17+,18-,19+,21+/m1/s1
Bioactivity Comments
Peptide ligand 2 binds to the α3/β1 integrin receptor expressed on MDA-MB-231 cells. Specificity for the α3 integrin is demonstrated by blockade of this binding by an anti-α3 integrin antibody [1]..
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
integrin, alpha 3 subunit (antigen CD49C, alpha 3 subunit of VLA-3 receptor) Hs None Binding 7.2 pIC50 - 1
pIC50 7.2 (IC50 5.7x10-8 M) [1]