BHS

6S-5,6,7,8-TETRAHYDROBIOPTERIN

Created:	1999-12-16
Last modified:	2011-06-04

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1 entries where BHS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	3
Bond Count	33
Aromatic Bond Count	6

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Chemical Component Summary
Name	6S-5,6,7,8-TETRAHYDROBIOPTERIN
Systematic Name (OpenEye OEToolkits)	(6R)-2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
Formula	C₉ H₁₅ N₅ O₃
Molecular Weight	241.247
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C
SMILES	CACTVS	3.341	C[CH](O)[CH](O)[CH]1CNC2=C(N1)C(=O)NC(=N2)N
SMILES	OpenEye OEToolkits	1.5.0	CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O
Canonical SMILES	CACTVS	3.341	C[C@@H](O)[C@@H](O)[C@H]1CNC2=C(N1)C(=O)NC(=N2)N
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]([C@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O
InChI	InChI	1.03	InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4-,6-/m1/s1
InChIKey	InChI	1.03	FNKQXYHWGSIFBK-ZMIZWQJLSA-N

Drug Info: DrugBank

DrugBank ID	DB03918
Name	6S-5,6,7,8-Tetrahydrobiopterin
Groups	experimental
Synonyms	6S-5,6,7,8-Tetrahydrobiopterin

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nitric oxide synthase, endothelial	MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...	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