Ligand
Ligand Name:   doripenem
Ligand Type:   non-polymer
Ligand ID:   COVPDB230 PubChem:   73303
Synonym(s):  
  •   148016-81-3
  • doribax
  • doripenem hydrate
  • unii-bhv525jobh
  • s-4661
  • bhv525jobh
  • (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-3-(((3s,5s)-5-((sulfamoylamino)methyl)pyrrolidin-3-yl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • ncgc00167510-01
  • drpm
  • dsstox_cid_26678
  • dsstox_rid_81814
  • dsstox_gsid_46678
  • doripenem hydrate (jan)
  • cas-148016-81-3
  • mfcd09749887
  • doripenem (usan/inn)
  • doripenem [usan:inn]
  • (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl}-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-3-((3s,5s)-5-((sulfamoylamino)methyl)pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • schembl37471
  • chembl491571
  • dtxsid2046678
  • chebi:135928
  • bcpp000252
  • hy-b0187
  • zinc3922770
  • tox21_112508
  • abp000725
  • bdbm50088382
  • mfcd02092739
  • s5531
  • akos015918362
  • tox21_112508_1
  • am84446
  • bcp9000623
  • ccg-268891
  • cs-2075
  • db06211
  • ncgc00167510-02
  • 1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((3s,5s)-5-(((aminosulfonyl)amino)methyl)-3-pyrrolidinyl)thio)-6-((1r)-1-hydroxyethyl)-4-methyl-7-oxo-, (4r,5s,6s)-
  • d5249
  • doripenem hydrate/doribax/s-4661/finibax/
  • a12818
  • d03895
  • 016d813
  • q411552
  • sr-01000872589
  • sr-01000872589-1
  • (+)-(4r,5s,6s)-6-((1r)-1-hydroxyethyl)-4-methyl-7-oxo-3-(((3s,5s)-5-((sulfamoylamino)methyl)-3-pyrrolidinyl)thio)-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
  • 1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-(((aminosulfonyl)amino)methyl)-3-pyrrolidinyl)thio)-6-(1-hydroxyethyl)-4-methyl-7-oxo-, (4r-(3(3s*,5s*),4alpha,5beta,6beta(r*)))-
  • o6p
show 53 synonym(s)
DrugBank:   DB06211 ChEMBL:   CHEMBL491571
Canonical SMILES:   C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N2C1=O)C(O)=O
Standard InChI:   InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1
Molecular Formula:   C15H24N4O6S2 Mol. Weight:   420.11374 logP:   -1.6031
HBD:   5 HBA:   7
#Rotatable Bonds:   7 TPSA:   162.06

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase A8FFI9 (A8FFI9_BACP2) Bacillus pumilus (strain SAFR-032) 5CTN 5R7
-
-
SHOW
Beta-lactamase Q8RLA6 (Q8RLA6_ACIBA) Acinetobacter baumannii 3PAE 4J6
-
-
SHOW
Beta-lactamase Q8RLA6 (Q8RLA6_ACIBA) Acinetobacter baumannii 3PAG 4J6
-
-
SHOW
Beta-lactamase Q6XEC0 (Q6XEC0_KLEPN) Klebsiella pneumoniae 6P9C 4J6
-
-
SHOW
OXA-239 I6YCI1 (I6YCI1_9GAMM) Acinetobacter sp. enrichment culture clone 8407 5WI7 4J6
-
-
SHOW
Beta-lactamase Q5QT35 (Q5QT35_ACIBA) Acinetobacter baumannii 5L2F 4J6
-
-
SHOW
Beta-lactamase P9WKD3 (BLAC_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 3IQA DRW
-
-
SHOW
L,D-transpeptidase 2 I6Y9J2 (LDT2_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 5DVP DRW
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-
SHOW
Beta-lactamase Q6XEC0 (Q6XEC0_KLEPN) Klebsiella pneumoniae 6PXX 5R7
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-
SHOW
Beta-lactamase OXA-1 P13661 (BLO1_ECOLX) Escherichia coli 3ISG DRW
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-
SHOW