SM2

(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID



Chemical Component Summary

Name(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID
Identifiers3-[(R)-dihydroxyboranyl-(2-thiophen-2-ylethanoylamino)methyl]benzoic acid
FormulaC14 H14 B N O5 S
Molecular Weight319.141
TypeNON-POLYMER
Isomeric SMILESB([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O
InChIInChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyHQLQTGGLHBYZSA-ZDUSSCGKSA-N

Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count1
Bond Count37
Aromatic Bond Count11

Drug Info: DrugBank

DrugBank IDDB08551 
Name3-{(R)-(Dihydroxyboryl)[(2-thienylacetyl)amino]methyl}benzoic acid
Groups experimental
Synonyms3-{(R)-(Dihydroxyboryl)[(2-thienylacetyl)amino]methyl}benzoic acid
CAS number497258-67-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-lactamaseMFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIY...unknown
Beta-lactamase TEMMSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLN...unknown
Beta-lactamaseMVTKRVQRMMFAAAACIPLLLGSAPLYAQTSAVQQKLAALEKSSGGRLGV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5289377
ChEMBL CHEMBL257468