LAN

LANOSTEROL

Created:	2004-08-18
Last modified:	2011-06-04

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4 entries where LAN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	81
Chiral Atom Count	7
Bond Count	84
Aromatic Bond Count	0

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Chemical Component Summary
Name	LANOSTEROL
Systematic Name (OpenEye OEToolkits)	(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Formula	C₃₀ H₅₀ O
Molecular Weight	426.717
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC4C(C3CCC1=C(CCC2(C(C(C)CC\C=C(/C)C)CCC12C)C)C3(C)CC4)(C)C
SMILES	CACTVS	3.341	C[CH](CCC=C(C)C)[CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3
SMILES	OpenEye OEToolkits	1.5.0	CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
Canonical SMILES	CACTVS	3.341	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI	InChI	1.03	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
InChIKey	InChI	1.03	CAHGCLMLTWQZNJ-BQNIITSRSA-N

Drug Info: DrugBank

DrugBank ID	DB03696
Name	Lanosterol
Groups	experimental
Synonyms	Lanosterol
Categories	Cholestadienes Cholestadienols Cholestanes Cholestenes Fused-Ring Compounds Lanosterol, metabolism Lipids Membrane Lipids Steroids Sterols Terpenes Triterpenes
CAS number	79-63-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lanosterol synthase	MTEGTCLRRRGGPYKTEPATDLGRWRLNCERGRQTWTYLQDERAGREQTG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682