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Inhibitor Report for: 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 | 1 structure: 5V42: Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM3
Protein | myctu-PKS13

References:
Search PubMed for references concerning: TAM3
    Title: Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13
    Aggarwal A, Parai MK, Shetty N, Wallis D, Woolhiser L, Hastings C, Dutta NK, Galaviz S, Dhakal RC and Sacchettini JC <20 more author(s)>
    Ref: Cell, 170:249, 2017 : PubMed