Ki Summary

Reaction Details

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Target

3-phosphoshikimate 1-carboxyvinyltransferase

Ligand

BDBM50281998

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_64958

IC50

>90000000±n/a nM

Citation

Miller, MJ; Anderson, KS; Braccolino, DS; Cleary, DG; Gruys, KJ; Han, CY; Lin, KC; Pansegrau, PD; Ream, JE; Sammons, RD; Sikorski, JA EPSP synthase inhibitor design II. The importance of the 3-phosphate group for ligand binding at the shikimate-3-phosphate site & the identification of 3-malonate ethers as novel 3-phosphate mimics. Bioorg Med Chem Lett3:1435-1440 (1993) Article

More Info.:

Get all data from this article, Assay Method

3-phosphoshikimate 1-carboxyvinyltransferase

Name:

3-phosphoshikimate 1-carboxyvinyltransferase

Synonyms:

5-enolpyruvylshikimate-3-phosphate synthase | AROA_ECOLI | aroA

Type:

PROTEIN

Mol. Mass.:

46089.22

Organism:

Escherichia coli (strain K12)

Description:

ChEMBL_65087

Residue:

427

Sequence:

MESLTLQPIARVDGTINLPGSKSVSNRALLLAALAHGKTVLTNLLDSDDVRHMLNALTAL
GVSYTLSADRTRCEIIGNGGPLHAEGALELFLGNAGTAMRPLAAALCLGSNDIVLTGEPR
MKERPIGHLVDALRLGGAKITYLEQENYPPLRLQGGFTGGNVDVDGSVSSQFLTALLMTA
PLAPEDTVIRIKGDLVSKPYIDITLNLMKTFGVEIENQHYQQFVVKGGQSYQSPGTYLVE
GDASSASYFLAAAAIKGGTVKVTGIGRNSMQGDIRFADVLEKMGATICWGDDYISCTRGE
LNAIDMDMNHIPDAAMTIATAALFAKGTTTLRNIYNWRVKETDRLFAMATELRKVGAEVE
EGHDYIRITPPEKLNFAEIATYNDHRMAMCFSLVALSDTPVTILDPKCTAKTFPDYFEQL
ARISQAA

BDBM50281998

n/a

Name

BDBM50281998

Synonyms:

(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid | 3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid | CHEMBL290345 | [3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid | shikimic acid

Type

Small organic molecule

Emp. Form.

C7H10O5

Mol. Mass.

174.1513

SMILES

O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O |r,c:3|

Structure