BA1

BALANOL

Find entries where: BA1

is present as a standalone ligand in 2 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries

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Chemical Component Summary
Name	BALANOL
Identifiers	2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxyphenyl)carbonylamino]azepan-4-yl]oxycarbonyl-phenyl]carbonyl-3-hydroxy-benzoic acid
Formula	C₂₈ H₂₆ N₂ O₁₀
Molecular Weight	550.513
Type	NON-POLYMER
Isomeric SMILES	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O
InChI	InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
InChIKey	XYUFCXJZFZPEJD-XMSQKQJNSA-N

Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	2
Bond Count	69
Aromatic Bond Count	18

Drug Info: DrugBank

DrugBank ID	DB04098
Name	Balanol
Groups	experimental
Synonyms	Balanol
Categories	Acids, Carbocyclic Benzene Derivatives Benzoates Cyclic AMP-Dependent Protein Kinases, antagonists & inhibitors Hydroxy Acids Phenols

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
cAMP-dependent protein kinase catalytic subunit alpha	MGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTL...	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