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Target
Alpha-1-acid glycoprotein 1
Ligand
BDBM50111453
Substrate
n/a
Meas. Tech.
ChEMBL_32972 (CHEMBL644687)
IC50
8000000±n/a nM
Citation
 Kaila, N; Chen, L; Thomas, BE; Tsao, D; Tam, S; Bedard, PW; Camphausen, RT; Alvarez, JC; Ullas, G Beta-C-mannosides as selectin inhibitors. J Med Chem 45:1563-6 (2002) [PubMed]  Article 
Target
Name:
Alpha-1-acid glycoprotein 1
Synonyms:
A1AG1_HUMAN | AGP1 | ORM1
Type:
PROTEIN
Mol. Mass.:
23503.71
Organism:
Homo sapiens (Human)
Description:
ChEMBL_32972
Residue:
201
Sequence:
MALSWVLTVLSLLPLLEAQIPLCANLVPVPITNATLDQITGKWFYIASAFRNEEYNKSVQEIQATFFYFTPNKTEDTIFLREYQTRQDQCIYNTTYLNVQRENGTISRYVGGQEHFAHLLILRDTKTYMLAFDVNDEKNWGLSVYADKPETTKEQLGEFYEALDCLRIPKSDVVYTDWKKDKCEPLEKQHEKERKQEEGES
  
Inhibitor
Name:
BDBM50111453
Synonyms:
(4R,5S)-2-{[(3S,4S,5S)-2-{[(2S,3S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-{[(2S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[({2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamido}carbonyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate | Beta-C-Mannoside derivative(sLex)
Type:
Small organic molecule
Emp. Form.:
C38H62N3O29
Mol. Mass.:
1024.9021
SMILES:
C[C@@H]1O[C@@H](OC2C(NC(C)=O)C(O)O[C@@H](CO)[C@H]2OC2OC(CO)[C@H](O)[C@H](OC3(C[C@@H](O)[C@H](NC(=O)NC(=O)CC4OC(CO)C(O)C(O)C4O)C(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@@H]2O)C(O)C(O)C1O
Structure:
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