Ki Summary

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Target

Metallo-beta-lactamase type 2

Ligand

BDBM262650

Substrate/Competitor

n/a

Meas. Tech.

Class B Enzyme Assay

7±n/a

IC50

0.520±n/a nM

Comments

extracted

Citation

Mandal, M; Tang, H; Xiao, L; Su, J; Li, G; Yang, S; Pan, W; Tang, H; DeJesus, R; Hicks, J; Lombardo, M; Chu, H; Hagmann, W; Pasternak, A; Gu, X; Jiang, J; Dong, S; Ding, F; London, C; Biswas, D; Young, K; Hunter, DN; Zhao, Z; Yang, D Metallo-beta-lactamase inhibitors US Patent US9708336 Publication Date 7/18/2017

More Info.:

Get all data from this article, Assay Method

Metallo-beta-lactamase type 2

Name:

Metallo-beta-lactamase type 2

Synonyms:

Type:

PROTEIN

Mol. Mass.:

28498.15

Organism:

Klebsiella pneumoniae

Description:

ChEMBL_103887

Residue:

270

Sequence:

MELPNIMHPVAKLSTALAAALMLSGCMPGEIRPTIGQQMETGDQRFGDLVFRQLAPNVWQ
HTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTH
AHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPL
KVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAF
PKASMIVMSHSAPDSRAAITHTARMADKLR

BDBM262650

n/a

Name

BDBM262650

Synonyms:

3-(cis 4-(guanidinomethyl)cyclohexyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide and 3-(trans 4-(guanidinomethyl)cyclohexyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide | US9708336, 502

Type

Small organic molecule

Emp. Form.

C16H21F3N8O2S

Mol. Mass.

446.451

SMILES

NC(=N)NC[C@H]1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:5.4,(-6.75,-11.21,;-6.35,-9.72,;-7.44,-8.64,;-4.86,-9.33,;-4.46,-7.84,;-2.98,-7.44,;-2.58,-5.95,;-1.09,-5.55,;,-6.64,;-.4,-8.13,;-1.89,-8.53,;1.49,-6.24,;2.58,-7.33,;4.06,-6.93,;4.52,-5.43,;3.37,-4.36,;1.89,-4.76,;.8,-3.67,;-.74,-3.67,;-1.22,-2.2,;.03,-1.3,;1.27,-2.2,;3.77,-2.87,;5.11,-2.1,;3.77,-1.33,;5.11,-3.64,;6,-5.03,;7.49,-4.64,;6.4,-6.52,;6.08,-3.5,)|

Structure