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
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