BAZ

BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC

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

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1 entries where BAZ is found as a standalone ligand

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Chemical Details
Formal Charge	2
Atom Count	42
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	20

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Chemical Component Summary
Name	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₇ H₁₆ N₈ Zn
Molecular Weight	397.772
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[Zn++].NC(=N)c1ccc2nc(Cc3[nH]c4cc(ccc4n3)C(N)=N)[nH]c2c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1C(=N)N)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N
Canonical SMILES	CACTVS	3.385	[Zn++].NC(=N)c1ccc2nc(Cc3[nH]c4cc(ccc4n3)C(N)=N)[nH]c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(\c1ccc2c(c1)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N)/N
InChI	InChI	1.06	InChI=1S/C17H16N8.Zn/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15;/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25);/q;+2
InChIKey	InChI	1.06	YKSMKIJLUWPKOX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04008
Name	Zinc;[amino-[2-[[5-[amino(azaniumylidene)methyl]benzimidazol-1-id-2-yl]methyl]benzimidazol-1-id-5-yl]methylidene]azanium
Groups	experimental
Synonyms	Zinc;[amino-[2-[[5-[amino(azaniumylidene)methyl]benzimidazol-1-id-2-yl]methyl]benzimidazol-1-id-5-yl]methylidene]azanium bis(5-amidino-benzimidazolyl)methane 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