BIO1211   Click here for help

GtoPdb Ligand ID: 6589

Synonyms: BIO 1211 | BIO-1211
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CC(CC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)C)CC(=O)O)NC(=O)Cc1ccc(cc1)NC(=O)Nc1ccccc1C)C
Isomeric SMILES CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)CC(=O)O)NC(=O)Cc1ccc(cc1)NC(=O)Nc1ccccc1C)C
InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1
InChI Key NVVGCQABIHSJSQ-KFZSMJGVSA-N
References
1. Lin Kc, Ateeq HS, Hsiung SH, Chong LT, Zimmerman CN, Castro A, Lee WC, Hammond CE, Kalkunte S, Chen LL et al.. (1999)
Selective, tight-binding inhibitors of integrin alpha4beta1 that inhibit allergic airway responses.
J. Med. Chem., 42 (5): 920-34. [PMID:10072689]