acompound

Showing entry for GR 133686

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043068
Compound Name	GR 133686
Structure
Formula	C30H40O5
InchiKey	UAKRLLAUOQEYFN-PQNCNOJFSA-N
SMILES	CC(=CC(=O)C[C@H]1C(=O)O[C@@H]2[C@@H]1[C@]1(C)CC[C@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@]4(C)C(=O)O3)[C@]1(C2)C)C
Inchi	InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1
IUPAC
Molecular Weight	480.29
Pubchem Id	10696098
Chembl Id	CHEMBL457155

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

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
reviewed	BXGT005630	Prothrombin	reviewed	Enzyme	F2	-	50	-	-
reviewed	BXGT005630	Prothrombin	reviewed	Enzyme	F2	-	4	-	-
reviewed	BXGT006629	Trypsin-1	reviewed	Enzyme	PRSS1	-	70	-	-
reviewed	BXGT019974	Chymotrypsin-C	reviewed		CTRC	-	70	-	-
reviewed	BXGT005636	Coagulation factor X	reviewed	Enzyme	F10	-	>20000	-	-
reviewed	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	-	>10000	-	-

CHEMBL

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
P00734	BXGT005630	Prothrombin	reviewed	Enzyme	F2	IC50	'='	50	nM
Q99895	BXGT019974	Chymotrypsin-C	reviewed	-	CTRC	IC50	'='	70	nM
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	IC50	'>'	10000	nM
P00734	BXGT005630	Prothrombin	reviewed	Enzyme	F2	IC50	'='	4	nM
P00742	BXGT005636	Coagulation factor X	reviewed	Enzyme	F10	IC50	'>'	20000	nM
P07477	BXGT006629	Trypsin-1	reviewed	Enzyme	PRSS1	IC50	'='	70	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02716	Lantana camara	Lantana camara	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}