Ligand |
||
Ligand Name: isovaleryl-b-keto-SNAC | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB141 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: O=C(C)NCCSC(=O)CC(=O)CC(C)C | ||
Standard InChI: InChI=1S/C11H19NO3S/c1-8(2)6-10(14)7-11(15)16-5-4-12-9(3)13/h8H,4-7H2,1-3H3,(H,12,13) | ||
Molecular Formula: C11H19NO3S | Mol. Weight: 245.10857 | logP: 1.3876 |
HBD: 1 | HBA: 4 | |
#Rotatable Bonds: 7 | TPSA: 63.24 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
ACP_syn_III_C domain-containing protein | Q7N4Z6 (Q7N4Z6_PHOLL) | Photorhabdus laumondii subsp. laumondii (strain DSM 15139 / CIP 105565 / TT01) | 5GK1 | 2K3 |
- |
- |
SHOW |