Ligand
Ligand Name:   N-[2-(bromoacetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB434 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCNC(=O)CBr
Standard InChI:   InChI=1S/C13H25BrN3O8P/c1-13(2,8-25-26(22,23)24)11(20)12(21)17-4-3-9(18)15-5-6-16-10(19)7-14/h11,20H,3-8H2,1-2H3,(H,15,18)(H,16,19)(H,17,21)(H2,22,23,24)/t11-/m0/s1
Molecular Formula:   C13H25BrN3O8P Mol. Weight:   461.05627 logP:   -1.3836
HBD:   6 HBA:   6
#Rotatable Bonds:   12 TPSA:   174.29

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Acyl-carrier-protein] S-malonyltransferase Q4U443 (Q4U443_SORCE) Sorangium cellulosum (Polyangium cellulosum) 5ZK4 9EF
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