Ki Summary

Reaction Details

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Target

Peptidoglycan D,D-transpeptidase FtsI

Ligand

BDBM50240426

Substrate/Competitor

n/a

Meas. Tech.

IC50 Assay

7.2±n/a

Temperature

298.15±n/a K

IC50

166±62 nM

Comments

extracted

Citation

van Berkel, SS; Nettleship, JE; Leung, IK; Brem, J; Choi, H; Stuart, DI; Claridge, TD; McDonough, MA; Owens, RJ; Ren, J; Schofield, CJ Binding of (5S)-penicilloic acid to penicillin binding protein 3. ACS Chem Biol8:2112-6 (2013) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Peptidoglycan D,D-transpeptidase FtsI

Name:

Peptidoglycan D,D-transpeptidase FtsI

Synonyms:

Penicillin binding protein 3 (PBP3)

Type:

Protein

Mol. Mass.:

62820.53

Organism:

Pseudomonas aeruginosa

Description:

A6VB91

Residue:

579

Sequence:

MKLNHFQGALYPWRFCVIVGLLLAMVGAIVWRIVDLHVIDHDFLKGQGDARSVRHIAIPA
HRGLITDRNGEPLAVSTPVTTLWANPKELMAAKERWPQLAAALGQDTKLFADRIEQNAER
EFIYLVRGLTPEQGEGVISLKVPGVYSIEEFRRFYPAGEVVAHAVGFTDVDDRGREGIEL
AFDEWLAGVPGKRQVLKDRRGRVIKDVQVTKNAKPGKTLALSIDLRLQYLAHRELRNALV
ENGAKAGSLVIMDVKTGEILAMTNQPTYNPNNRRNLQPAAMRNRAMIDVFEPGSTVKPFS
MSAALASGRWKPSDIVDVYPGTLQIGRYTIRDVSRNSRQLDLTGILIKSSNVGISKIAFD
IGAESIYSVMQQVGLGQDTGLGFPGERVGNLPNHRKWPKAETATLAYGYGLSVTAIQLAH
AYAALANDGKSVPLSMTRVDRVPDGVQVISPEVASTVQGMLQQVVEAQGGVFRAQVPGYH
AAGKSGTARKVSVGTKGYRENAYRSLFAGFAPATDPRIAMVVVIDEPSKAGYFGGLVSAP
VFSKVMAGALRLMNVPPDNLPTATEQQQVNAAPAKGGRG

BDBM50240426

n/a

Name

BDBM50240426

Synonyms:

(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | 6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid | CHEMBL702 | Piperacillin | Piperacillin anhydrous

Type

Small organic molecule

Emp. Form.

C23H27N5O7S

Mol. Mass.

517.555

SMILES

CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O |r|

Structure