BP1

6-BROMO-7H-PURINE

Created:	2004-02-24
Last modified:	2020-06-05

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1 entries where BP1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	10

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Chemical Component Summary
Name	6-BROMO-7H-PURINE
Synonyms	BROMOPURINE
Systematic Name (OpenEye OEToolkits)	6-bromo-7H-purine
Formula	C₅ H₃ Br N₄
Molecular Weight	199.008
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc1ncnc2ncnc12
SMILES	CACTVS	3.341	Brc1ncnc2nc[nH]c12
SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)ncnc2Br
Canonical SMILES	CACTVS	3.341	Brc1ncnc2nc[nH]c12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)ncnc2Br
InChI	InChI	1.03	InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKey	InChI	1.03	CTGFGRDVWBZYNB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02168
Name	6-bromopurine
Groups	experimental
Synonyms	6-bromo-1H-purine 6-bromopurine
CAS number	767-69-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nucleoside deoxyribosyltransferase-I	MKAVVPTGKIYLGSPFYSDAQRERAAKAKELLAKNPSIAHVFFPFDDGFT...	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