Molecule

Psammaplin C

AlkaPlorer ID: AK311387

Synonym: N-[2-(Aminosulfonyl)ethyl]-3-bromo-4-hydroxy-α-(hydroxyimino)benzenepropanamide

IUPAC Name: (2Z)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide

SMILES: NS(=O)(=O)CCN=C(O)/C(CC1=CC=C(O)C(Br)=C1)=N/O

InChI: InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+

InChIKey: LZIKVOPNIDEBQJ-OQLLNIDSSA-N

PubChem CID: 21726402

CAS: 133991-68-1

LOTUS: LTS0051056

SuperNatural Ⅲ: SN0219511-01

NPASS: NPC166624

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces sp.	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Pseudoceratina purpurea	Pseudoceratina	Pseudoceratinidae	Verongiida	Demospongiae	Porifera	Metazoa	Eukaryota
Streptomyces calvus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Molecule Weight: 380.22

TPSA？: 145.57000000000002

MolLogP？: 0.7724000000000004

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Carbonic anhydrase I	Ki	48.1	nM	10.1021/acs.jmedchem.6b00443
Homo sapiens	Carbonic anhydrase I	Ki	48.1	nM	10.1021/acs.jmedchem.9b00282
Homo sapiens	Carbonic anhydrase II	Ki	88.0	nM	10.1021/acs.jmedchem.6b00443
Homo sapiens	Carbonic anhydrase II	Ki	88.0	nM	10.1021/acs.jmedchem.9b00282
Homo sapiens	Carbonic anhydrase IV	Ki	75.3	nM	10.1021/acs.jmedchem.6b00443
Homo sapiens	Carbonic anhydrase IX	Ki	12.3	nM	10.1021/acs.jmedchem.6b00443
Homo sapiens	Carbonic anhydrase IX	Ki	12.3	nM	10.1021/acs.jmedchem.9b00282
Homo sapiens	Carbonic anhydrase VA	Ki	154.0	nM	10.1021/acs.jmedchem.6b00443
Homo sapiens	Carbonic anhydrase VI	Ki	9680.0	nM	10.1021/acs.jmedchem.6b00443
Homo sapiens	Carbonic anhydrase VII	Ki	1.7	nM	10.1021/acs.jmedchem.6b00443
Homo sapiens	Carbonic anhydrase XII	Ki	0.79	nM	10.1021/acs.jmedchem.6b00443
Homo sapiens	Carbonic anhydrase XII	Ki	0.79	nM	10.1021/acs.jmedchem.9b00282
Homo sapiens	Carbonic anhydrase XIII	Ki	10630.0	nM	10.1021/acs.jmedchem.6b00443
Homo sapiens	Carbonic anhydrase XIV	Ki	379.0	nM	10.1021/acs.jmedchem.6b00443
Homo sapiens	Histone deacetylase	IC50	40.0	nM	10.1021/np501015m
None	Unchecked	Ratio Ki	3.91	None	10.1021/acs.jmedchem.9b00282
None	Unchecked	Ratio Ki	7.15	None	10.1021/acs.jmedchem.9b00282
None	Unchecked	Ratio Ki	60.9	None	10.1021/acs.jmedchem.9b00282
None	Unchecked	Ratio Ki	111.0	None	10.1021/acs.jmedchem.9b00282