Ki Summary

Reaction Details

Report a problem with these data

Target

Carbonic anhydrase 12

Ligand

BDBM50031535

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1440918 (CHEMBL3375182)

5.7±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

BDBM50031535

n/a

Name

BDBM50031535

Synonyms:

CHEMBL3359175

Type

Small organic molecule

Emp. Form.

C30H25N3O8S2

Mol. Mass.

619.665

SMILES

NS(=O)(=O)c1ccc(OCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(5.03,-15.71,;5.03,-17.25,;4.25,-18.58,;3.48,-17.24,;6.36,-18.02,;6.36,-19.57,;7.7,-20.34,;9.04,-19.57,;10.37,-20.34,;11.71,-19.57,;13.05,-20.34,;14.38,-19.57,;15.72,-20.34,;15.75,-21.88,;17.1,-22.63,;14.42,-22.68,;14.45,-24.22,;13.13,-25.02,;13.16,-26.56,;14.5,-27.3,;15.83,-26.51,;15.8,-24.97,;17.18,-27.26,;18.5,-26.47,;15.82,-27.99,;14.52,-28.84,;13.21,-29.63,;11.86,-28.89,;10.55,-29.69,;10.58,-31.22,;9.27,-32.01,;11.92,-31.97,;13.24,-31.17,;14.58,-31.91,;15.9,-31.12,;17.24,-31.86,;18.55,-31.07,;19.9,-31.82,;18.52,-29.53,;17.2,-28.8,;15.86,-29.59,;9.03,-18.02,;7.7,-17.25,)|

Structure