BB2

ACTINONIN

Created:	2000-10-23
Last modified:	2021-03-01

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39 entries where BB2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	3
Bond Count	62
Aromatic Bond Count	0

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Chemical Component Summary
Name	ACTINONIN
Synonyms	2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE
Systematic Name (OpenEye OEToolkits)	(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxo-butan-2-yl]-2-pentyl-butanediamide
Formula	C₁₉ H₃₅ N₃ O₅
Molecular Weight	385.498
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N1C(CO)CCC1)C(NC(=O)C(CC(=O)NO)CCCCC)C(C)C
SMILES	CACTVS	3.341	CCCCC[CH](CC(=O)NO)C(=O)N[CH](C(C)C)C(=O)N1CCC[CH]1CO
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO
Canonical SMILES	CACTVS	3.341	CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
InChI	InChI	1.03	InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
InChIKey	InChI	1.03	XJLATMLVMSFZBN-VYDXJSESSA-N

Drug Info: DrugBank

DrugBank ID	DB04310
Name	2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide
Groups	experimental
Synonyms	2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide
CAS number	13434-13-4

Drug Targets

Name	Target Sequence	Pharmacological Action
Peptide deformylase	MLTMKDIIRDGHPTLRQKAAELELPLTKEEKETLIAMREFLVNSQDEEIA...	unknown
Peptide deformylase	MSVRKILRMGDPILRKISEPVTEDEIQTKEFKKLIRDMFDTMRHAEGVGL...	unknown
Peptide deformylase 1	MAVLEIIKHPNEVLETPCERVINFDKKLVKLLKDMHETMLIADGVGLAAP...	unknown
Peptide deformylase 2	MLTMKDVIREGDPILRNVAEEVSLPASEEDTTTLKEMIEFVINSQDPEMA...	unknown
Peptide deformylase	MITMKDIIREGNPTLRAVAEEVPVPITEEDRQLGEDMLTFLKNSQDPVKA...	unknown
Peptide deformylase	MSAQDKLIKPSHLITMDDIIREGNPTLRAVAKEVSLPLCDEDILLGEKMM...	unknown
Peptide deformylase, mitochondrial	MARLWGALSLWPLWAAVPWGGAAAVGVRACSSTAAPDGVEGPALRRSYWR...	unknown
Peptide deformylase	MAILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAAT...	unknown
Peptide deformylase	MSVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAAT...	unknown
Peptide deformylase 2	MITMKDIIKEGHPTLRKVAEPVPLPPSEEDKRILQSLLDYVKMSQDPELA...	unknown
Peptide deformylase	MLTMKDIIRDGHPTLRQKAAELELPLTKEEKETLIAMREFLVNSQDEEIA...	unknown
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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