BL5

2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE

Created:	2003-12-02
Last modified:	2011-06-04

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1 entries where BL5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	112
Chiral Atom Count	4
Bond Count	113
Aromatic Bond Count	12

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Chemical Component Summary
Name	2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE
Systematic Name (OpenEye OEToolkits)	(2S)-N-[(2S)-6-amino-1-oxo-1-phenylazanyl-hexan-2-yl]-2-[[2-[(2S)-2-[[(2S)-6-amino-1-oxo-1-phenylazanyl-hexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide
Formula	C₃₈ H₆₂ N₈ O₄
Molecular Weight	694.95
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1ccccc1)C(NC(=O)C(CCCC)CNNCC(C(=O)NC(C(=O)Nc2ccccc2)CCCCN)CCCC)CCCCN
SMILES	CACTVS	3.341	CCCC[CH](CNNC[CH](CCCC)C(=O)N[CH](CCCCN)C(=O)Nc1ccccc1)C(=O)N[CH](CCCCN)C(=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	1.5.0	CCCCC(CNNCC(CCCC)C(=O)NC(CCCCN)C(=O)Nc1ccccc1)C(=O)NC(CCCCN)C(=O)Nc2ccccc2
Canonical SMILES	CACTVS	3.341	CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2
InChI	InChI	1.03	InChI=1S/C38H62N8O4/c1-3-5-17-29(35(47)45-33(23-13-15-25-39)37(49)43-31-19-9-7-10-20-31)27-41-42-28-30(18-6-4-2)36(48)46-34(24-14-16-26-40)38(50)44-32-21-11-8-12-22-32/h7-12,19-22,29-30,33-34,41-42H,3-6,13-18,23-28,39-40H2,1-2H3,(H,43,49)(H,44,50)(H,45,47)(H,46,48)/t29-,30-,33-,34-/m0/s1
InChIKey	InChI	1.03	YFMXWONORHSZEM-ANFUHZJESA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB03648
Name	(2S,2'S)-2,2'-(1,2-Hydrazinediylbis{methylene[(2S)-1-oxo-2,1-hexanediyl]imino})bis(6-amino-N-phenylhexanamide)
Groups	experimental
Synonyms	(2S,2'S)-2,2'-(1,2-Hydrazinediylbis{methylene[(2S)-1-oxo-2,1-hexanediyl]imino})bis(6-amino-N-phenylhexanamide)

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Peptide deformylase	MLMYYSLFLFNLIICCNVTSIYGYIHNVRSLEPYIKNDQIKNYSSNIKQK...	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