Covpdb









Ligand
Ligand Name:   Carbapenem T224
Ligand Type:   non-polymer
Ligand ID:   COVPDB323 PubChem:   122174212
Synonym(s):  
  •   schembl21081302
  • (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-3-(1h-indol-3-ylsulfanyl)-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(Sc3c[nH]c4ccccc34)=C(N2C1=O)C(O)=O
Standard InChI:   InChI=1S/C18H18N2O4S/c1-8-14-13(9(2)21)17(22)20(14)15(18(23)24)16(8)25-12-7-19-11-6-4-3-5-10(11)12/h3-9,13-14,19,21H,1-2H3,(H,23,24)/t8-,9-,13-,14-/m1/s1
Molecular Formula:   C18H18N2O4S Mol. Weight:   358.09872 logP:   2.4137
HBD:   3 HBA:   4
#Rotatable Bonds:   4 TPSA:   93.63

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) 5K69 6QR
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