Type : Piperidine,Benzofuran
Chemical_Nomenclature : ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
Canonical SMILES : CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCC(CC3)C)C4=CC=CC=C4
InChI : InChI=1S\/C24H27NO4\/c1-3-28-24(27)22-21-18(15-25-13-11-16(2)12-14-25)19(26)9-10-20(21)29-23(22)17-7-5-4-6-8-17\/h4-10,16,26H,3,11-15H2,1-2H3
InChIKey : YDARBKORYFGQMH-UHFFFAOYSA-N
Other name(s) : 301682-60-0,AC1M1STI,UNM000000584101,AC1Q33NV,Oprea1_203624
MW : 393.48
Formula : C24H27NO4
CAS_number :
PubChem : 2129850
UniChem : YDARBKORYFGQMH-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Families : TAM1 ligand of proteins in family: Thioesterase
Stucture : 5V3X Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM1
Protein : 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 |