2Q5

General

Type : Polymer

Chemical_Nomenclature : (2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propan-1-ol

Canonical SMILES : CC(CO)OCC(C)OCC(C)OCC(C)O

InChI : InChI=1S\/C12H26O5\/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13\/h9-14H,5-8H2,1-4H3\/t9-,10-,11+,12-\/m1\/s1

InChIKey : QVHMSMOUDQXMRS-WISYIIOYSA-N

Other name(s) : (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol,Q27453175


MW : 250.33

Formula : C12H26O5

CAS_number :

PubChem : 77620522

UniChem : QVHMSMOUDQXMRS-WISYIIOYSA-N

IUPHAR :

Wikipedia :

Target

Families : 2Q5 ligand of proteins in family: Thioesterase

Stucture :

Protein : myctu-PKS13

References (2)

Title : Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity - Green_2023_J.Med.Chem__
Author(s) : Green SR , Wilson C , Eadsforth TC , Punekar AS , Tamaki FK , Wood G , Caldwell N , Forte B , Norcross NR , Kiczun M , Post JM , Lopez-Roman EM , Engelhart CA , Lukac I , Zuccotto F , Epemolu O , Boshoff HIM , Schnappinger D , Walpole C , Gilbert IH , Read KD , Wyatt PG , Baragana B
Ref : Journal of Medicinal Chemistry , : , 2023
Abstract : Green_2023_J.Med.Chem__
ESTHER : Green_2023_J.Med.Chem__
PubMedSearch : Green_2023_J.Med.Chem__
PubMedID: 37948640
Gene_locus related to this paper: myctu-PKS13

Title : Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13 - Aggarwal_2017_Cell_170_249
Author(s) : Aggarwal A , Parai MK , Shetty N , Wallis D , Woolhiser L , Hastings C , Dutta NK , Galaviz S , Dhakal RC , Shrestha R , Wakabayashi S , Walpole C , Matthews D , Floyd D , Scullion P , Riley J , Epemolu O , Norval S , Snavely T , Robertson GT , Rubin EJ , Ioerger TR , Sirgel FA , van der Merwe R , van Helden PD , Keller P , Bottger EC , Karakousis PC , Lenaerts AJ , Sacchettini JC
Ref : Cell , 170 :249 , 2017
Abstract : Aggarwal_2017_Cell_170_249
ESTHER : Aggarwal_2017_Cell_170_249
PubMedSearch : Aggarwal_2017_Cell_170_249
PubMedID: 28669536
Gene_locus related to this paper: myctu-PKS13