acompound

Showing entry for Biotin

General Compound Information
BXGC Id	BXGC0026123
Compound Name	Biotin
Structure
Formula	C10H16N2O3S
InchiKey	YBJHBAHKTGYVGT-ZKWXMUAHSA-N
SMILES	OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=N2)O
Inchi	InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
IUPAC	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular Weight	244.09
Pubchem Id	171548
Chembl Id	CHEMBL857

Targets of Information Source

DrugBank

DB00121

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
P05166	BXGT006335	Propionyl-CoA carboxylase beta chain, mitochondrial	reviewed	Enzyme	PCCB	approved; investigational; nutraceutical	cofactor
P50747	BXGT010817	Biotin--protein ligase	reviewed	Enzyme	HLCS	approved; investigational; nutraceutical	substrate
Q9HCC0	BXGT020530	Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial	reviewed	Enzyme	MCCC2	approved; investigational; nutraceutical	cofactor
O00763	BXGT003947	Acetyl-CoA carboxylase 2	reviewed	-	ACACB	approved; investigational; nutraceutical	cofactor
Q96RQ3	BXGT019732	Methylcrotonoyl-CoA carboxylase subunit alpha, mitochondrial	reviewed	Enzyme	MCCC1	approved; investigational; nutraceutical	cofactor
P11498	BXGT007714	Pyruvate carboxylase, mitochondrial	reviewed	Enzyme	PC	approved; investigational; nutraceutical	cofactor
P05165	BXGT006334	Propionyl-CoA carboxylase alpha chain, mitochondrial	reviewed	Enzyme	PCCA	approved; investigational; nutraceutical	cofactor
Q13085	BXGT013309	Acetyl-CoA carboxylase 1	reviewed	-	ACACA	approved; investigational; nutraceutical	cofactor

PDB

BTN

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
P02701	BXGT005926	Avidin	reviewed	AVD	-	-	-	-	-
P0ABD8	BXGT007227	Biotin carboxyl carrier protein of acetyl-CoA carboxylase	reviewed	accB	-	-	-	-	-
P06709	BXGT006479	Bifunctional ligase/repressor BirA	reviewed	birA	-	-	-	-	-
P22629	BXGT008788	Streptavidin	reviewed		-	-	-	0.2	-
P22629	BXGT008788	Streptavidin	reviewed		-	-	-	-	-
P22629	BXGT008788	Streptavidin	reviewed		-	-	-	43.9	-
P22629	BXGT008788	Streptavidin	reviewed		-	-	-	-	~1000000000000
P22629	BXGT008788	Streptavidin	reviewed		-	-	-	-	100000000
P22629	BXGT008788	Streptavidin	reviewed		-	-	-	120	-
P56732	BXGT011196	Avidin-related protein 2	reviewed	AVR2	-	-	-	-	-
O57883	BXGT004766	235aa long hypothetical biotin--[acetyl-CoA-carboxylase] ligase	unreviewed	PH0147	-	-	-	-	-
Q9X4K7	BXGT022145	Propionyl-CoA carboxylase complex B subunit	unreviewed	pccB	-	-	-	-	-
P56734	BXGT011197	Avidin-related protein 4/5	reviewed	AVR4;	-	-	-	1450	-
P56734	BXGT011197	Avidin-related protein 4/5	reviewed	AVR4;	-	-	-	-	-
C0H419	BXGT002365	Biotin/lipoyl attachment protein	reviewed	yngHB	-	-	-	-	-
Q59014	BXGT015235	Putative biotin ligase	reviewed	MJ1619	-	-	-	-	-
O59021	BXGT004825	149aa long hypothetical methylmalonyl-CoA decarboxylase gamma chain	unreviewed	PH1284	-	-	-	-	-
P22629	BXGT008788	Streptavidin	reviewed		-	-	-	~0.0001	-
P02701	BXGT005926	Avidin	reviewed	AVD	-	-	-	0.00001	-
A7YYL1	BXGT001648	Avd protein	unreviewed	avd	-	-	-	-	-
B9A0T7	BXGT002320	Tamavidin2	unreviewed	tam2	-	-	-	-	-
P24928	BXGT009001	DNA-directed RNA polymerase II subunit RPB1	reviewed	POLR2A	Enzyme	-	-	-	-
O66837	BXGT004964	Biotin [acetyl-CoA-carboxylase] ligase	unreviewed	birA	-	-	-	-	-
O66837	BXGT004964	Biotin [acetyl-CoA-carboxylase] ligase	unreviewed	birA	-	-	-	3500	-
Q8KKW2	BXGT018429	Hypothetical conserved protein	unreviewed	RHE_PD00032	-	-	-	-	-
P24182	BXGT008953	Biotin carboxylase	reviewed	accC	-	-	-	-	-
P68431	BXGT011601	Histone H3.1	reviewed	H3C1	-	-	-	-	-
P22629	BXGT008788	Streptavidin	reviewed		-	-	-	0.14	-
Q12QS6	BXGT013299	Avidin/streptavidin	unreviewed	Sden_0912	-	-	-	-	-
Q12QS6	BXGT013299	Avidin/streptavidin	unreviewed	Sden_0912	-	-	-	1450	-
Q89IH6	BXGT017744	Blr5658 protein	unreviewed	blr5658	-	-	-	-	-
P56734	BXGT011197	Avidin-related protein 4/5	reviewed	AVR4;	-	-	-	103	-
E7F650	BXGT003148	Avidin	unreviewed	avd	-	-	-	3.745	-
A2RMJ9	BXGT001096	Biotin transporter BioY	reviewed	bioY	-	-	-	0.3	-
P22629	BXGT008788	Streptavidin	reviewed		-	-	-	1450	-
Q89U61	BXGT017746	Bll1558 protein	unreviewed	bll1558	-	-	-	0.066	-
Q2K340	BXGT014111	Pyruvate carboxylase	unreviewed	pyc	-	-	-	-	-
A9D857	BXGT001782	Hoefavidin	reviewed	HPDFL43_17171	-	-	-	-	-
A0A493R6W9	BXGT024171	Short afifavidin	unreviewed		-	-	-	-	-

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	BXGT005570	Tyrosine-protein kinase ABL1	reviewed	Kinase	ABL1	-	528.66	-	-
reviewed	BXGT005570	Tyrosine-protein kinase ABL1	reviewed	Kinase	ABL1	-	>3.73	-	-
reviewed	BXGT008788	Streptavidin	reviewed		-	-	-	1	-

CHEMBL

CHEMBL857

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
P14735	BXGT008042	Insulin-degrading enzyme	reviewed	Enzyme	IDE	EC50	'='	2526	nM
Q194T2	BXGT013743	Non-structural protein 1	unreviewed	-	NS1	IC50	'<'	200	nM
Q13671	BXGT013391	Ras and Rab interactor 1	reviewed	Enzyme modulator	RIN1	IC50	'>'	3	nM
P00519	BXGT005570	Tyrosine-protein kinase ABL1	reviewed	Kinase	ABL1	IC50	'>'	3	nM
P60843	BXGT011331	Eukaryotic initiation factor 4A-I	reviewed	-	Eif4a1	Activity	-	-	-
P14735	BXGT008042	Insulin-degrading enzyme	reviewed	Enzyme	IDE	EC50	'='	2373	nM
P22629	BXGT008788	Streptavidin	reviewed	-		Kd	'='	0	nM
P22629	BXGT008788	Streptavidin	reviewed	-		Activity	-	-	-
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	3	nM
O35913	BXGT004540	Solute carrier organic anion transporter family member 1A4	reviewed	-	Slco1a4	Activity	-	-	-
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	89125	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	93	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	96	%
P23467	BXGT008869	Receptor-type tyrosine-protein phosphatase beta	reviewed	-	PTPRB	Kis	'='	2330	uM
P10630	BXGT007591	Eukaryotic initiation factor 4A-II	reviewed	-	Eif4a2	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00956	Passiflora incarnata	Passiflora incarnata	Medicinal Plant
BXGF01157	Alstonia muelleriana	Alstonia muelleriana	Others
BXGF01205	Dacrydium cupressinum	Dacrydium cupressinum	Medicinal Plant
BXGF01448	Trigonella grandiflora	Trigonella grandiflora	Others
BXGF01554	Nicotiana undulata	Nicotiana undulata	Others
BXGF01821	Artemisia cina	Artemisia cina	Medicinal Plant
BXGF02757	Tripolium pannonicum	Tripolium pannonicum	Others
BXGF02925	Coreopsis nodosa	Coreopsis nodosa	Others
BXGF03180	Uvaria calamistrata	Uvaria calamistrata	Medicinal Plant
BXGF03508	Haematococcus lacustris	Haematococcus lacustris	Others
BXGF05413	Glycine tomentella	Glycine tomentella	Human Edible Plant
BXGF05817	Panax schinseng	Panax schinseng	Others
BXGF05944	Senecio paludaffinis	Senecio paludaffinis	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}