acompound

Showing entry for Cytochalasin B

General Compound Information
BXGC Id	BXGC0041900
Compound Name	Cytochalasin B
Structure
Formula	C29H37NO5
InchiKey	GBOGMAARMMDZGR-TYHYBEHESA-N
SMILES	C[C@@H]1CCC[C@@H](O)/C=C/C(=O)O[C@@]23[C@@H](/C=C/C1)[C@H](O)C(=C)[C@H]([C@H]3[C@@H](N=C2O)Cc1ccccc1)C
Inchi	InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/
IUPAC
Molecular Weight	479.27
Pubchem Id	5311281
Chembl Id	CHEMBL411729

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

5RH

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
P11166	BXGT007661	Solute carrier family 2, facilitated glucose transporter member 1	reviewed	SLC2A1	Transporter	-	-	-	-

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

CHEMBL411729

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
Q962Y6	BXGT019597	Thioredoxin glutathione reductase	unreviewed	-	TGR	Potency	'='	63095	nM
P51151	BXGT010837	Ras-related protein Rab-9A	reviewed	-	RAB9A	Potency	'='	6309	nM
P20701	BXGT008591	Integrin alpha-L	reviewed	-	ITGAL	MIC	'='	2	ug.mL-1
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	Activity	-	-	-
P05107	BXGT006316	Integrin beta-2	reviewed	Receptor	ITGB2	MIC	'='	2	ug.mL-1
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	MIC	'='	2	ug.mL-1
P20701	BXGT008591	Integrin alpha-L	reviewed	-	ITGAL	MIC	'='	2	ug.mL-1
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	100000	nM
P05107	BXGT006316	Integrin beta-2	reviewed	Receptor	ITGB2	IC50	'='	0	ug.mL-1
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	IC50	'='	0	ug.mL-1
P20701	BXGT008591	Integrin alpha-L	reviewed	-	ITGAL	IC50	'='	0	ug.mL-1
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	8912	nM
P05107	BXGT006316	Integrin beta-2	reviewed	Receptor	ITGB2	MIC	'='	0	ug.mL-1
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	MIC	'='	0	ug.mL-1
P20701	BXGT008591	Integrin alpha-L	reviewed	-	ITGAL	MIC	'='	0	ug.mL-1
P20701	BXGT008591	Integrin alpha-L	reviewed	-	ITGAL	IC50	'='	5	ug.mL-1
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	631	nM
O15118	BXGT004127	NPC intracellular cholesterol transporter 1	reviewed	Transporter	NPC1	Potency	'='	1122	nM
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Activity	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-2	%
P05107	BXGT006316	Integrin beta-2	reviewed	Receptor	ITGB2	IC50	'='	7	ug.mL-1
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	IC50	'='	7	ug.mL-1
P20701	BXGT008591	Integrin alpha-L	reviewed	-	ITGAL	IC50	'='	7	ug.mL-1
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	8	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00855	Nerium oleander	Nerium oleander	Medicinal Plant
BXGF01536	Veronica pectinata	Veronica pectinata	Others
BXGF01592	Plantago lanceolata	Plantago lanceolata	Medicinal Plant
BXGF02000	Dalea elegans	Dalea elegans	Others
BXGF02073	Tripodanthus acutifolius	Tripodanthus acutifolius	Medicinal Plant
BXGF02177	Croton rhamnifolius	Croton rhamnifolius	Others
BXGF03025	Scutellaria seleriana	Scutellaria seleriana	Others
BXGF03643	Cytisus scoparius	Cytisus scoparius	Medicinal Plant
BXGF03680	Aconitum brevicalcaratum	Aconitum brevicalcaratum	Others
BXGF03972	Crinum kirkii	Crinum kirkii	Medicinal Plant
BXGF04199	Isodon japonicus	Isodon japonicus	Medicinal Plant
BXGF04424	Hypericum triquetrifolium	Hypericum triquetrifolium	Medicinal Plant
BXGF05006	Ammodendron conollyi	Ammodendron conollyi	Others
BXGF05105	Cirsium dipsacolepis	Cirsium dipsacolepis	Medicinal Plant
BXGF05132	Mesembryanthemum anatomicum	Mesembryanthemum anatomicum	Medicinal Plant
BXGF05180	Malva sylvestris	Malva sylvestris	Medicinal Plant
BXGF05246	Viguiera annua	Viguiera annua	Others
BXGF05568	Eria subsessilis	Eria subsessilis	Others
BXGF05635	Cocculus diversifolius	Cocculus diversifolius	Others
BXGF05664	Myrica multiflora	Myrica multiflora	Medicinal Plant
BXGF05716	Trifolium apertum	Trifolium apertum	Others
BXGF05757	Solanum racemigerum	Solanum racemigerum	Others
BXGF05789	Teucrium pestalozzae	Teucrium pestalozzae	Others
BXGF06028	Knightia deplanchei	Knightia deplanchei	Others
BXGF06104	Ptilidium ciliare	Ptilidium ciliare	Others

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}