Ligand
Ligand Name:   ACIVICIN
Ligand Type:   L-peptide linking
Ligand ID:   COVPDB509 PubChem:   294641
Synonym(s):  
  •   42228-92-2
  • antibiotic at 125
  • at-125
  • acivicine
  • acivicino
  • acivicinum
  • at 125
  • nsc 163501
  • nsc-163501
  • nsc163501
  • unii-o0x60k76i6
  • acia
  • u-42,126
  • u 42126
  • chebi:74545
  • o0x60k76i6
  • (2s)-2-amino-2-[(5s)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
  • (alphas,5s)-alpha-amino-3-chloro-2-isoxazoline-5-acetic acid
  • (alpha-s,5s)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid
  • u-42126
  • (2s)-2-amino-2-[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid
  • (2s)-amino[(5s)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid
  • acivicin [usan:inn]
  • acivicine [inn-french]
  • acivicinum [inn-latin]
  • acivicino [inn-spanish]
  • c5h7cln2o3
  • ncgc00095996-01
  • brn 1074648
  • spectrum_000343
  • acivicin (usan/inn)
  • spectrum3_001857
  • spectrum4_000902
  • spectrum5_001706
  • ncimech_000028
  • schembl4159
  • dsstox_cid_26010
  • dsstox_rid_81286
  • dsstox_gsid_46010
  • bspbio_003274
  • kbiogr_001364
  • kbioss_000823
  • divk1c_000672
  • spectrum1502002
  • u 42,126
  • acivicin, >=98% (hplc)
  • chembl1231101
  • dtxsid0046010
  • gtpl11402
  • hms502b14
  • kbio1_000672
  • kbio2_000823
  • kbio2_003391
  • kbio2_005959
  • kbio3_002775
  • ninds_000672
  • at125
  • 76898-56-1
  • zinc3871381
  • tox21_111545
  • (2s)-amino[(5s)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
  • (alphas,5s)-alpha-amino-3-chlor-4,5-dihydro-5-isoxazolylessigsaeure
  • (s-(r*,r*))-4,5-dihydro-alpha-amino-3-chloro-5-isoxazoleacetic acid
  • ccg-35436
  • mfcd00058450
  • akos027327575
  • l-(alphas,5s)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid
  • cs-w017302
  • hy-w016586
  • idi1_000672
  • ncgc00178172-01
  • as-56028
  • nci60_001241
  • cas-42228-92-2
  • x6878
  • d02755
  • a825818
  • q4674217
  • 5-isoxazoleacetic acid,5-dihydro-, [s-(r*,r*)]-
  • brd-k11632748-001-02-5
  • (2s)-amino[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]ethanoic acid
  • (a-s, 5s)-a-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid
  • (alphas,5s)-alpha-amino-3-chloro- 4,5-dihydro-5-isoxazol-acetic acid
  • (alphas,5s)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazol-acetic acid
  • (alphas,5s)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazole acetic acid
  • (s)-2-amino-2-((s)-3-chloro-4,5-dihydroisoxazol-5-yl)acetic acid
  • .alpha.-amino-3-chloro-4,5-dihydro-[s-(r*,r*)]-5-isoxazoleacetatic acid
  • 5-isoxazoleacetic acid, alpha-amino-3-chloro-4,5-dihydro-, (s-(r*,r*))-
  • (2s)-2-azanyl-2-[(5s)-3-chloranyl-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid
  • 5-isoxazoleacetic acid, 4,5-dihydro-alpha-amino-3-chloro-, (s-(r*,r*))-
show 89 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1231101
Canonical SMILES:   N[C@@H]([C@@H]1CC(Cl)=NO1)C(O)=O
Standard InChI:   InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1
Molecular Formula:   C5H7ClN2O3 Mol. Weight:   178.01453 logP:   -0.2605
HBD:   2 HBA:   4
#Rotatable Bonds:   2 TPSA:   84.91

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Gamma-glutamyltranspeptidase (Ggt) O25743 (O25743_HELPY) Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) 3FNM AVN Ki : 19700 nM PDBBind SHOW
Glutathione hydrolase proenzyme P54422 (GGT_BACSU) Bacillus subtilis (strain 168) 3WHS AVN
-
-
SHOW
Gamma glutamyl transpeptidase A9YTT0 (A9YTT0_BACLI) Bacillus licheniformis 5XLU AVN
-
-
SHOW
Glutathione hydrolase proenzyme P18956 (GGT_ECOLI) Escherichia coli (strain K12) 2Z8K AVN
-
-
SHOW