Ligand
Ligand Name:   N-BENZOYL-D-ALANINE
Ligand Type:   D-peptide linking
Ligand ID:   COVPDB1295 PubChem:   91514
Synonym(s):  
  •   17966-60-8
  • bz-d-ala-oh
  • d-alanine, n-benzoyl-
  • bzo-d-ala-oh
  • benzoyl-d-alanine
  • 2-benzoylamino-propionic acid
  • n-benzoyl-d-ala-oh
  • chembl55771
  • (r)-2-benzamidopropanoic acid
  • schembl2796740
  • n-alpha-benzoyl-d-alanine
  • 9422aa
  • anw-60729
  • mfcd00063127
  • zinc82068115
  • akos000352443
  • ab02521
  • db08508
  • as-48959
  • k-5501
  • q27097708
show 20 synonym(s)
DrugBank:   DB08508 ChEMBL:   CHEMBL55771
Canonical SMILES:   C[C@@H](NC(=O)c1ccccc1)C(O)=O
Standard InChI:   InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
Molecular Formula:   C10H11NO3 Mol. Weight:   193.0739 logP:   0.8895
HBD:   2 HBA:   2
#Rotatable Bonds:   3 TPSA:   66.4

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
DD-transpeptidase Q7CRA4 (Q7CRA4_STRR6) Streptococcus pneumoniae (strain ATCC BAA-255 / R6) 2XD5 S2D
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