Ligand
Ligand Name:   (2S)-2-methyl-3-oxooctadecanoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB58 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCCCCCCCCCCCCCC(=O)[C@H](C)C(O)=O
Standard InChI:   InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19(21)22/h17H,3-16H2,1-2H3,(H,21,22)/t17-/m0/s1
Molecular Formula:   C19H36O3 Mol. Weight:   312.26645 logP:   5.7575
HBD:   1 HBA:   2
#Rotatable Bonds:   16 TPSA:   54.37

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11 P9WPF3 (PKS11_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 4JAP 14U
-
-
SHOW