TAM3
General
Type : Pyrrolidine,Benzofuran
Chemical_Nomenclature : ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
Canonical SMILES : CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCC3)C4=CC=CC=C4
InChI : InChI=1S\/C22H23NO4\/c1-2-26-22(25)20-19-16(14-23-12-6-7-13-23)17(24)10-11-18(19)27-21(20)15-8-4-3-5-9-15\/h3-5,8-11,24H,2,6-7,12-14H2,1H3
InChIKey : VIMMVCAKDVTEMS-UHFFFAOYSA-N
Other name(s) : I66,Ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate,Ethyl 5-hydroxy-2-phenyl-4-(1-pyrrolidinylmethyl)-1-benzofuran-3-carboxylate,Ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)benzofuran-3-carboxylate,SMR000135597,AC1M1STC
MW : 365.42
Formula : C22H23NO4
CAS_number : 301682-59-7
PubChem : 2129848
UniChem : VIMMVCAKDVTEMS-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : TAM3 ligand of proteins in family: Thioesterase
Stucture : 5V42 Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM3
Protein : myctu-PKS13
References (1)
| 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 |