acompound

Showing entry for Pyrrolnitrin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014413
Compound Name	Pyrrolnitrin
Structure
Formula	C10H6Cl2N2O2
InchiKey	QJBZDBLBQWFTPZ-UHFFFAOYSA-N
SMILES	Clc1c[nH]cc1c1cccc(c1N(=O)=O)Cl
Inchi	InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H
IUPAC	3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole
Molecular Weight	255.98
Pubchem Id	13916
Chembl Id	CHEMBL97972

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

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	14963	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	31622	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	12589	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	3548	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	39810	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	21136	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	21136	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00859	Backhousia citriodora	Backhousia citriodora	Food Plant
BXGF01058	Aglaia tomentosa	Aglaia tomentosa	Human Edible Plant
BXGF02617	Senecio macrocephalus	Senecio macrocephalus	Others
BXGF03236	Upuna borneensis	Upuna borneensis	Others
BXGF05986	Mentha timija	Mentha timija	Others
BXGF06035	Capraria biflora	Capraria biflora	Medicinal Plant
BXGF06108	Centipeda minima	Centipeda minima	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}