BRV

5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid

Created:	2009-03-30
Last modified:	2020-06-05

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2 entries where BRV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

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Chemical Component Summary
Name	5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid
Synonyms	5-Amino-2,4,6-tribromoisophthalic acid
Systematic Name (OpenEye OEToolkits)	5-amino-2,4,6-tribromo-benzene-1,3-dicarboxylic acid
Formula	C₈ H₄ Br₃ N O₄
Molecular Weight	417.834
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc1c(c(Br)c(C(=O)O)c(Br)c1N)C(=O)O
SMILES	CACTVS	3.341	Nc1c(Br)c(C(O)=O)c(Br)c(C(O)=O)c1Br
SMILES	OpenEye OEToolkits	1.5.0	c1(c(c(c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O
Canonical SMILES	CACTVS	3.341	Nc1c(Br)c(C(O)=O)c(Br)c(C(O)=O)c1Br
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1(c(c(c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
InChIKey	InChI	1.03	KGKQFJKPOZCZLD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07491
Name	5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid
Groups	experimental
Synonyms	5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid

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