LAB

LATRUNCULIN B

Created:	2007-06-20
Last modified:	2011-06-04

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26 entries where LAB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	5
Bond Count	58
Aromatic Bond Count	0

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Chemical Component Summary
Name	LATRUNCULIN B
Systematic Name (OpenEye OEToolkits)	(4R)-4-[(1R,4Z,8Z,10S,13R,15R)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one
Formula	C₂₀ H₂₉ N O₅ S
Molecular Weight	395.513
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3OC2CC(OC(O)(C1NC(=O)SC1)C2)CCC(C=CCCC(=C3)C)C
SMILES	CACTVS	3.341	C[CH]1CC[CH]2C[CH](C[C](O)(O2)[CH]3CSC(=O)N3)OC(=O)C=C(C)CCC=C1
SMILES	OpenEye OEToolkits	1.5.0	CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)C=C(CCC=C1)C
Canonical SMILES	CACTVS	3.341	C[C@H]\1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]3CSC(=O)N3)OC(=O)\C=C(C)/CC\C=C\1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]\1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)\C=C(/CC\C=C1)\C
InChI	InChI	1.03	InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17+,20-/m1/s1
InChIKey	InChI	1.03	NSHPHXHGRHSMIK-JRIKCGFMSA-N

Drug Info: DrugBank

DrugBank ID	DB08080
Name	Latrunculin B
Groups	experimental
Description	Latrunculin B is a 14-membered macrolide attached to 2-thiazolidinone moiety, isolated from Red Sea sponge _Latrunculia magnifica_.
Synonyms	(+)-latrunculin B Latrunculin B LAT-B
Categories	Porifera Sulfur Compounds Thiazoles
CAS number	76343-94-7

Drug Targets

Name	Target Sequence	Pharmacological Action
Actin, alpha skeletal muscle	MCDEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMG...	unknown
MKL/myocardin-like protein 1	MPPLKSPAAFHEQRRSLERARTEDYLKRKIRSRPERSELVRMHILEETSA...	unknown
Protein spire homolog 2	MARAGSCGGAAAGAGRPEPWELSLEEVLKAYEQPLNEEQAWAVCFQGCRG...	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