acompound

Showing entry for Enniatin B

General Compound Information
BXGC Id	BXGC0028067
Compound Name	Enniatin B
Structure
Formula	C33H57N3O9
InchiKey	MIZMDSVSLSIMSC-VYLWARHZSA-N
SMILES	CC([C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C1=O)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C
Inchi	InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1
IUPAC	(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular Weight	639.41
Pubchem Id	164754
Chembl Id	CHEMBL469036

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

CHEMBL469036

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	8912	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	89125	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	5623	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	10000	nM
C4YTQ8	BXGT002500	ATP-dependent molecular chaperone HSP82	unreviewed	-	CAWG_05553	EC50	'>'	150000	nM
O15118	BXGT004127	NPC intracellular cholesterol transporter 1	reviewed	Transporter	NPC1	Potency	'='	4466	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	31622	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	651	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	651	nM
P62826	BXGT011463	GTP-binding nuclear protein Ran	reviewed	Enzyme modulator	RAN	Potency	-	651	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	4109	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	35481	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	2818	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	2818	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	6309	nM
P42858	BXGT010341	Huntingtin	reviewed	-	HTT	Potency	'='	3981	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	3264	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	39810	nM
Q6W5P4	BXGT016588	Neuropeptide S receptor	reviewed	-	NPSR1	Potency	'='	10000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	4109	nM
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	39810	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	29092	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	4609	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	3662	nM
P01215	BXGT005743	Glycoprotein hormones alpha chain	reviewed	-	CGA	Potency	-	8912	nM
Q13315	BXGT013339	Serine-protein kinase ATM	reviewed	Kinase	ATM	Potency	'='	31622	nM
O00167	BXGT003887	Eyes absent homolog 2	reviewed	-	EYA2	Potency	-	100000	nM
P51151	BXGT010837	Ras-related protein Rab-9A	reviewed	-	RAB9A	Potency	'='	3548	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	22387	nM
O95398	BXGT005378	Rap guanine nucleotide exchange factor 3	reviewed	Enzyme modulator	RAPGEF3	Potency	-	70794	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	35481	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01222	Ocimum tenuiflorum	Ocimum tenuiflorum	Medicinal Plant
BXGF01374	Balanops australiana	Balanops australiana	Others
BXGF02505	Pinus sylvestris	Pinus sylvestris	Medicinal Plant
BXGF02802	Araiostegiella perdurans	Araiostegiella perdurans	Others
BXGF03476	Hylocomium splendens	Hylocomium splendens	Others
BXGF03763	Millettia laurentii	Millettia laurentii	Medicinal Plant
BXGF03765	Alcea rosea	Alcea rosea	Medicinal Plant
BXGF04349	Monodora tenuifolia	Monodora tenuifolia	Human Edible Plant
BXGF04896	Kokoona reflexa	Kokoona reflexa	Others
BXGF05083	Viguiera decurrens	Viguiera decurrens	Medicinal Plant
BXGF05145	Sideritis brevibracteata	Sideritis brevibracteata	Human Edible Plant
BXGF05184	Maesa ramentacea	Maesa ramentacea	Medicinal Plant
BXGF05242	Euphorbia cornigera	Euphorbia cornigera	Others
BXGF05368	Salvia yosgadensis	Salvia yosgadensis	Others
BXGF05428	Sideroxylon cubense	Sideroxylon cubense	Others
BXGF05654	Pinus strobus	Pinus strobus	Medicinal Plant
BXGF05730	Alpinia blepharocalyx	Alpinia blepharocalyx	Medicinal Plant
BXGF05764	Eucalyptus jenseni	Eucalyptus jenseni	Others
BXGF05869	Salacia lehmbachii	Salacia lehmbachii	Medicinal Plant
BXGF05954	Pluchea odorata	Pluchea odorata	Others
BXGF06033	Euonymus tingens	Euonymus tingens	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}