BOZ

BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC

Created:	1999-07-08
Last modified:	2023-09-23

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1 entries where BOZ is found as a standalone ligand

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Chemical Details
Formal Charge	2
Atom Count	45
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	20

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Chemical Component Summary
Name	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₇ H₁₈ N₈ O Zn
Molecular Weight	415.787
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[Zn++].NC(N)c1ccc2nc([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)N
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=O)Nc5c4ccc(c5)C(N)N
Canonical SMILES	CACTVS	3.385	[Zn++].NC(N)c1ccc2nc([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)N
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=O)Nc5c4ccc(c5)C(N)N
InChI	InChI	1.06	InChI=1S/C17H18N8O.Zn/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17;/h1-6,14-15H,18-21H2,(H,22,24)(H,23,25);/q;+2
InChIKey	InChI	1.06	ZZTKUHCUDLEGEN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03443
Name	bis(5-amidino-benzimidazolyl)methanone zinc
Groups	experimental
Synonyms	bis(5-amidino-benzimidazolyl)methanone zinc

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Trypsin-1	MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGG...	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