Ki Summary

Reaction Details

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Target

Beta-lactamase

Ligand

BDBM50042576

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_104648

IC50

>200000±n/a nM

Citation

Toney, JH; Cleary, KA; Hammond, GG; Yuan, X; May, WJ; Hutchins, SM; Ashton, WT; Vanderwall, DE Structure-activity relationships of biphenyl tetrazoles as metallo-beta-lactamase inhibitors. Bioorg Med Chem Lett9:2741-6 (1999) [PubMed]

More Info.:

Get all data from this article, Assay Method

Beta-lactamase

Name:

Beta-lactamase

Synonyms:

Beta-lactamase | metallo-beta-lactamase IMP-1

Type:

Enzyme Catalytic Domain

Mol. Mass.:

27125.88

Organism:

Pseudomonas aeruginosa

Description:

gi_27368096

Residue:

246

Sequence:

MSKLSVFFIFLFCSIATAAESLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNA
EAYLIDTPFTAKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYASELT
NELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERKILFGGCFIKP
YGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGDASLLKLTLEQAVKGLNESKK
PSKPSN

BDBM50042576

n/a

Name

BDBM50042576

Synonyms:

5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-(2,4,6-trichloro-phenyl)-2H-pyrazole-3-carboxylic acid | CHEMBL90774

Type

Small organic molecule

Emp. Form.

C28H23Cl3N6O2

Mol. Mass.

581.88

SMILES

CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-2.96,-14.32,;-1.41,-14.32,;-.64,-13.02,;.92,-13.03,;1.82,-11.79,;1.36,-10.32,;2.6,-9.41,;3.84,-10.32,;5.31,-9.83,;5.63,-8.33,;6.79,-10.57,;3.37,-11.79,;4.27,-13.03,;5.81,-13.02,;6.57,-14.35,;8.11,-14.34,;8.86,-13.02,;8.09,-11.69,;6.56,-11.7,;10.41,-13,;11.18,-14.34,;12.71,-14.32,;13.48,-13,;12.69,-11.64,;11.16,-11.67,;10.63,-10.21,;11.87,-9.31,;11.4,-7.85,;9.86,-7.83,;9.38,-9.3,;2.2,-7.88,;3.31,-6.78,;4.76,-6.54,;2.91,-5.28,;1.4,-4.86,;.98,-3.34,;.29,-5.99,;.69,-7.47,;-.47,-8.57,)|

Structure