null
SMILES: [H][C@@]12C[C@@H](CC[C@]1(C)C1C[C@H](OC(C)=O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OC(C)=O)C(C)CCC(=O)OC)OCCNc1ccnc2cc(Cl)ccc12
InChI Key: InChIKey=QZZJNRWXLCKHIO-GRXWNZESSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum) | BDBM23305 (4-amino-7-chloroquinoline (ACQ)-based compound, 10...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
National Cancer Institute at Frederick | Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA... | J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105 | |||||||||||
More data for this Ligand-Target Pair |