Covpdb









Ligand
Ligand Name:   Carbapenem T206
Ligand Type:   non-polymer
Ligand ID:   COVPDB303 PubChem:   122174203
Synonym(s):  
  •   (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-3-(2-oxo-2-propoxy-ethyl)sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • schembl21081371
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCOC(=O)CSC1=C(N2[C@@H]([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O
Standard InChI:   InChI=1S/C15H21NO6S/c1-4-5-22-9(18)6-23-13-7(2)11-10(8(3)17)14(19)16(11)12(13)15(20)21/h7-8,10-11,17H,4-6H2,1-3H3,(H,20,21)/t7-,8-,10-,11-/m1/s1
Molecular Formula:   C15H21NO6S Mol. Weight:   343.10895 logP:   0.8265
HBD:   2 HBA:   6
#Rotatable Bonds:   7 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) 5DZJ 6B7
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L,D-transpeptidase 2 I6Y9J2 (LDT2_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 5DZP 6B7
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SHOW