Ki Summary

Reaction Details

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Target

Carbonic anhydrase 12

Ligand

BDBM50031560

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1440918 (CHEMBL3375182)

609±n/a nM

Citation

Bozdag, M; Pinard, M; Carta, F; Masini, E; Scozzafava, A; McKenna, R; Supuran, CT A class of 4-sulfamoylphenyl-�-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J Med Chem57:9673-86 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Carbonic anhydrase 12

Name:

Carbonic anhydrase 12

Synonyms:

Type:

Enzyme

Mol. Mass.:

39456.00

Organism:

Homo sapiens (Human)

Description:

Catalytic domain of human cloned isozyme was used in the assay

Residue:

354

Sequence:

MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDL
HSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHL
HWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFN
PSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFR
NPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQVQVCTAAGL
SLGIILSLALAGILGICIVVVVSIWLFRRKSIKKGDNKGVIYKPATKMETEAHA

BDBM50031560

n/a

Name

BDBM50031560

Synonyms:

CHEMBL3359177

Type

Small organic molecule

Emp. Form.

C33H34ClN5O6S2

Mol. Mass.

696.236

SMILES

[Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCCOc4ccc(cc4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(;27.75,-3.28,;27.75,-1.74,;29.08,-.97,;26.41,-.97,;25.08,-1.74,;23.75,-.97,;23.75,.57,;22.41,1.34,;21.08,.57,;19.74,1.34,;18.41,.57,;18.41,-.97,;17.08,-1.74,;15.74,-.97,;15.74,.57,;14.41,-1.74,;13.08,-.97,;11.74,-1.74,;10.41,-.97,;9.07,-1.74,;7.74,-.97,;6.41,-1.74,;6.41,-3.28,;7.74,-4.05,;9.07,-3.28,;5.07,-4.05,;4.3,-2.71,;3.74,-4.82,;5.84,-5.38,;19.74,-1.74,;21.08,-.97,;22.41,-1.74,;22.41,-3.28,;23.94,-1.9,;22.41,2.88,;21.08,3.65,;21.08,5.19,;22.41,5.96,;23.75,5.19,;23.75,3.65,;25.08,2.88,;25.08,1.34,;26.41,.57,;22.41,7.5,;23.75,8.27,;21.08,8.27,)|

Structure