BAO

BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where BAO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	20

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Chemical Component Summary
Name	BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE
Systematic Name (OpenEye OEToolkits)	2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)carbonyl]-3H-benzimidazole-5-carboximidamide
Formula	C₁₇ H₁₄ N₈ O
Molecular Weight	346.346
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c2nc1ccc(cc1n2)C(=[N@H])N)c3nc4ccc(C(=[N@H])N)cc4n3
SMILES	CACTVS	3.341	NC(=N)c1ccc2nc([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)=N
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N
Canonical SMILES	CACTVS	3.341	NC(=N)c1ccc2nc([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)=N
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N
InChI	InChI	1.03	InChI=1S/C17H14N8O/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/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
InChIKey	InChI	1.03	VVVXDHROXQUONB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01876
Name	Bis(5-Amidino-2-Benzimidazolyl)Methanone
Groups	experimental
Synonyms	Bis(5-Amidino-2-Benzimidazolyl)Methanone

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