acompound

General Compound Information
BXGC Id	BXGC0006990
Compound Name	Lanosterol
Structure
Formula	C30H50O
InchiKey	CAHGCLMLTWQZNJ-BQNIITSRSA-N
SMILES	[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C
Inchi	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
IUPAC	(2S,5S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.02,?.011,1?]heptadec-1(10)-en-5-ol
Molecular Weight	426.72
Pubchem Id	246983
Chembl Id	CHEMBL225111

Targets of Information Source

DrugBank

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
P48449	BXGT010632	Lanosterol synthase	reviewed	-	LSS	experimental	-

PDB

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
P48449	BXGT010632	Lanosterol synthase	reviewed	LSS	-	-	-	-	-
P10614	BXGT007588	Lanosterol 14-alpha demethylase	reviewed	ERG11	-	-	-	-	-
Q16850	BXGT013681	Lanosterol 14-alpha demethylase	reviewed	CYP51A1	Enzyme	-	-	-	-

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
P9WPP1	BXGT012466	Steroid C26-monooxygenase	reviewed	-	cyp125	Kcat(app)	'='	10	/min
P9WPP1	BXGT012466	Steroid C26-monooxygenase	reviewed	-	cyp125	Activity	'='	37	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	53	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	90	%
Q96W81	BXGT019750	14-alpha sterol demethylase	unreviewed	-	cyp51B	Ks	'='	8	uM
Q07869	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	Potency	-	12589	nM
Q96W81	BXGT019750	14-alpha sterol demethylase	unreviewed	-	cyp51B	Ks	'='	3	uM
Q16850	BXGT013681	Lanosterol 14-alpha demethylase	reviewed	Enzyme	CYP51A1	Km	'='	30000	nM
P07315	BXGT026109	Gamma-crystallin C	reviewed	-	CRYGC	Inhibition	-	-	-
P02511	BXGT005885	Alpha-crystallin B chain	reviewed	-	CRYAB	Inhibition	'='	31	%
P9WPP1	BXGT012466	Steroid C26-monooxygenase	reviewed	-	cyp125	Activity	-	-	-
P02511	BXGT005885	Alpha-crystallin B chain	reviewed	-	CRYAB	EC50	'='	1420	nM
P07320	BXGT026150	Gamma-crystallin D	reviewed	-	CRYGD	Inhibition	-	-	-
P43320	BXGT026151	Beta-crystallin B2	reviewed	-	CRYBB2	Inhibition	-	-	-
P02511	BXGT005885	Alpha-crystallin B chain	reviewed	-	CRYAB	Inhibition	'='	20	%
P02489	BXGT026168	Alpha-crystallin A chain	reviewed	-	CRYAA	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00059	Arabica coffee	Coffea arabica	Coffee and coffee products
BXGF00085	Soy bean	Glycine max	Soy
BXGF00115	Bitter gourd	Momordica charantia	Gourds
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00181	Dandelion	Taraxacum officinale	Herbs and Spices
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00349	Irish moss	Chondrus crispus	Aquatic foods
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00513	Maitake	Grifola frondosa	Vegetables
BXGF00729	Shea tree	Vitellaria paradoxa	Herbs and Spices
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables
BXGF00833	Italian sweet red pepper	Capsicum annuum	Vegetables
BXGF01668	Taraxacum platycarpum	Taraxacum platycarpum	Medicinal Plant
BXGF02152	Taraxacum borealisinense	Taraxacum borealisinense	Others
BXGF03630	Taraxacum coreanum	Taraxacum coreanum	Others
BXGF04310	Taraxacum mongolicum	Taraxacum mongolicum	Medicinal Plant
BXGF04909	Hippophae fructus	Hippophae fructus	Others
BXGF05218	Hedysarum multijugum	Hedysarum multijugum	Medicinal Plant
BXGF05340	Adiantum caudatum	Adiantum caudatum	Medicinal Plant
BXGF05649	Phlomis regelii	Phlomis regelii	Others
BXGF05787	Smilax glabra	Smilax glabra	Medicinal Plant
BXGF05953	Bryum rutilans	Bryum rutilans	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}