Covpdb









Ligand
Ligand Name:   carbapenem T208
Ligand Type:   non-polymer
Ligand ID:   COVPDB1366 PubChem:   122174214
Synonym(s):  
  •   schembl21081370
  • (4r,5s,6s)-3-[2-(cyclohexoxy)-2-oxo-ethyl]sulfanyl-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SCC(=O)OC3CCCCC3)=C(N2C1=O)C(O)=O
Standard InChI:   InChI=1S/C18H25NO6S/c1-9-14-13(10(2)20)17(22)19(14)15(18(23)24)16(9)26-8-12(21)25-11-6-4-3-5-7-11/h9-11,13-14,20H,3-8H2,1-2H3,(H,23,24)/t9-,10-,13-,14-/m1/s1
Molecular Formula:   C18H25NO6S Mol. Weight:   383.14026 logP:   1.7492
HBD:   2 HBA:   6
#Rotatable Bonds:   6 TPSA:   104.14

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
L,D-transpeptidase 2 I6Y9J2 (LDT2_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 5E1G T8G
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