ABI

5-AMIDINO-BENZIMIDAZOLE

Created:	1999-07-29
Last modified:	2011-06-04

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1 entries where ABI is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	10

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Chemical Component Summary
Name	5-AMIDINO-BENZIMIDAZOLE
Systematic Name (OpenEye OEToolkits)	[amino-(3H-benzimidazol-5-yl)methylidene]azanium
Formula	C₈ H₉ N₄
Molecular Weight	161.184
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1ccc(cc1nc2)\C(=[NH2+])N
SMILES	CACTVS	3.341	NC(=[NH2+])c1ccc2nc[nH]c2c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1C(=[NH2+])N)[nH]cn2
Canonical SMILES	CACTVS	3.341	NC(=[NH2+])c1ccc2nc[nH]c2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1C(=[NH2+])N)[nH]cn2
InChI	InChI	1.03	InChI=1S/C8H8N4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H3,9,10)(H,11,12)/p+1
InChIKey	InChI	1.03	UHGFPMUGEQINGV-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank ID	DB01939
Name	5-Amidino-Benzimidazole
Groups	experimental
Synonyms	5-Amidino-Benzimidazole

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