Ki Summary

Reaction Details

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Target

Sodium channel protein type 5 subunit alpha

Ligand

BDBM50023582

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1454248 (CHEMBL3363798)

IC50

>333000±n/a nM

Citation

Reck, F; Ehmann, DE; Dougherty, TJ; Newman, JV; Hopkins, S; Stone, G; Agrawal, N; Ciaccio, P; McNulty, J; Barthlow, H; O'Donnell, J; Goteti, K; Breen, J; Comita-Prevoir, J; Cornebise, M; Cronin, M; Eyermann, CJ; Geng, B; Carr, GR; Pandarinathan, L; Tang, X; Cottone, A; Zhao, L; Bezdenejnih-Snyder, N Optimization of physicochemical properties and safety profile of novel bacterial topoisomerase type II inhibitors (NBTIs) with activity against Pseudomonas aeruginosa. Bioorg Med Chem22:5392-409 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Sodium channel protein type 5 subunit alpha

Name:

Sodium channel protein type 5 subunit alpha

Synonyms:

Type:

Enzyme

Mol. Mass.:

226908.60

Organism:

Homo sapiens (Human)

Description:

Q14524

Residue:

2016

Sequence:

MANFLLPRGTSSFRRFTRESLAAIEKRMAEKQARGSTTLQESREGLPEEEAPRPQLDLQA
SKKLPDLYGNPPQELIGEPLEDLDPFYSTQKTFIVLNKGKTIFRFSATNALYVLSPFHPI
RRAAVKILVHSLFNMLIMCTILTNCVFMAQHDPPPWTKYVEYTFTAIYTFESLVKILARG
FCLHAFTFLRDPWNWLDFSVIIMAYTTEFVDLGNVSALRTFRVLRALKTISVISGLKTIV
GALIQSVKKLADVMVLTVFCLSVFALIGLQLFMGNLRHKCVRNFTALNGTNGSVEADGLV
WESLDLYLSDPENYLLKNGTSDVLLCGNSSDAGTCPEGYRCLKAGENPDHGYTSFDSFAW
AFLALFRLMTQDCWERLYQQTLRSAGKIYMIFFMLVIFLGSFYLVNLILAVVAMAYEEQN
QATIAETEEKEKRFQEAMEMLKKEHEALTIRGVDTVSRSSLEMSPLAPVNSHERRSKRRK
RMSSGTEECGEDRLPKSDSEDGPRAMNHLSLTRGLSRTSMKPRSSRGSIFTFRRRDLGSE
ADFADDENSTAGESESHHTSLLVPWPLRRTSAQGQPSPGTSAPGHALHGKKNSTVDCNGV
VSLLGAGDPEATSPGSHLLRPVMLEHPPDTTTPSEEPGGPQMLTSQAPCVDGFEEPGARQ
RALSAVSVLTSALEELEESRHKCPPCWNRLAQRYLIWECCPLWMSIKQGVKLVVMDPFTD
LTITMCIVLNTLFMALEHYNMTSEFEEMLQVGNLVFTGIFTAEMTFKIIALDPYYYFQQG
WNIFDSIIVILSLMELGLSRMSNLSVLRSFRLLRVFKLAKSWPTLNTLIKIIGNSVGALG
NLTLVLAIIVFIFAVVGMQLFGKNYSELRDSDSGLLPRWHMMDFFHAFLIIFRILCGEWI
ETMWDCMEVSGQSLCLLVFLLVMVIGNLVVLNLFLALLLSSFSADNLTAPDEDREMNNLQ
LALARIQRGLRFVKRTTWDFCCGLLRQRPQKPAALAAQGQLPSCIATPYSPPPPETEKVP
PTRKETRFEEGEQPGQGTPGDPEPVCVPIAVAESDTDDQEEDEENSLGTEEESSKQQESQ
PVSGGPEAPPDSRTWSQVSATASSEAEASASQADWRQQWKAEPQAPGCGETPEDSCSEGS
TADMTNTAELLEQIPDLGQDVKDPEDCFTEGCVRRCPCCAVDTTQAPGKVWWRLRKTCYH
IVEHSWFETFIIFMILLSSGALAFEDIYLEERKTIKVLLEYADKMFTYVFVLEMLLKWVA
YGFKKYFTNAWCWLDFLIVDVSLVSLVANTLGFAEMGPIKSLRTLRALRPLRALSRFEGM
RVVVNALVGAIPSIMNVLLVCLIFWLIFSIMGVNLFAGKFGRCINQTEGDLPLNYTIVNN
KSQCESLNLTGELYWTKVKVNFDNVGAGYLALLQVATFKGWMDIMYAAVDSRGYEEQPQW
EYNLYMYIYFVIFIIFGSFFTLNLFIGVIIDNFNQQKKKLGGQDIFMTEEQKKYYNAMKK
LGSKKPQKPIPRPLNKYQGFIFDIVTKQAFDVTIMFLICLNMVTMMVETDDQSPEKINIL
AKINLLFVAIFTGECIVKLAALRHYYFTNSWNIFDFVVVILSIVGTVLSDIIQKYFFSPT
LFRVIRLARIGRILRLIRGAKGIRTLLFALMMSLPALFNIGLLLFLVMFIYSIFGMANFA
YVKWEAGIDDMFNFQTFANSMLCLFQITTSAGWDGLLSPILNTGPPYCDPTLPNSNGSRG
DCGSPAVGILFFTTYIIISFLIVVNMYIAIILENFSVATEESTEPLSEDDFDMFYEIWEK
FDPEATQFIEYSVLSDFADALSEPLRIAKPNQISLINMDLPMVSGDRIHCMDILFAFTKR
VLGESGEMDALKIQMEEKFMAANPSKISYEPITTTLRRKHEEVSAMVIQRAFRRHLLQRS
LKHASFLFRQQAGSGLSEEDAPEREGLIAYVMSENFSRPLGPPSSSSISSTSFPPSYDSV
TRATSDNLQVRGSDYSHSEDLADFPPSPDRDRESIV

BDBM50023582

n/a

Name

BDBM50023582

Synonyms:

CHEMBL3355575

Type

Small organic molecule

Emp. Form.

C25H30N6O4

Mol. Mass.

478.5435

SMILES

[H][C@@]1(CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(OC)cnc2ccc1=O |r,wU:20.23,wD:4.7,1.0,(9.66,-8.53,;8.34,-7.77,;7,-7.01,;7,-5.46,;8.33,-4.69,;9.67,-5.46,;9.67,-6.99,;8.33,-3.15,;9.66,-2.38,;11,-3.14,;10.99,-4.69,;12.32,-5.46,;13.65,-4.69,;14.99,-5.46,;16.33,-4.68,;16.33,-3.13,;17.66,-2.36,;14.98,-2.36,;13.65,-3.14,;12.31,-2.38,;8.35,-9.3,;9.68,-10.07,;7.02,-10.08,;7.03,-11.62,;5.69,-12.41,;4.36,-11.64,;3.03,-12.41,;1.7,-11.65,;.36,-12.42,;3.03,-13.96,;4.36,-14.73,;5.7,-13.96,;7.04,-14.73,;8.38,-13.95,;8.38,-12.4,;9.71,-11.62,)|

Structure