HBI

7,8-DIHYDROBIOPTERIN

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

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27 entries where HBI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	2
Bond Count	31
Aromatic Bond Count	6

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Chemical Component Summary
Name	7,8-DIHYDROBIOPTERIN
Systematic Name (OpenEye OEToolkits)	2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one
Formula	C₉ H₁₃ N₅ O₃
Molecular Weight	239.231
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N
SMILES	CACTVS	3.341	C[CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O
Canonical SMILES	CACTVS	3.341	C[C@H](O)[C@H](O)C1=NC2=C(NC1)N=C(N)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O
InChI	InChI	1.03	InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
InChIKey	InChI	1.03	FEMXZDUTFRTWPE-DZSWIPIPSA-N

Drug Info: DrugBank

DrugBank ID	DB04400
Name	L-erythro-7,8-dihydrobiopterin
Groups	experimental
Description	7,8-Dihydrobiopterin is an inhibitor of the enzyme dihydroneopterin aldolase (DHNA), which catalyzes the conversion of 7,8-Dihydrobiopterin to 6-hydroxymethyl-7,8-dihydropterin and glycolaldehyde.
Synonyms	L-erythro-7,8-dihydrobiopterin L-erythro-q-Dihydrobiopterin Dihydrobiopterin Quinonoid dihydrobiopterin q-BH2
Categories	Coenzymes Enzymes and Coenzymes Heterocyclic Compounds, Fused-Ring Pteridines Pterins
CAS number	6779-87-9

Drug Targets

Name	Target Sequence	Pharmacological Action
Phenylalanine-4-hydroxylase	MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAK...	unknown
Pteridine reductase 1	MTAPTVPVALVTGAAKRLGRSIAEGLHAEGYAVCLHYHRSAAEANALSAT...	unknown
Nitric oxide synthase, inducible	MACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLS...	unknown
Tyrosine 3-monooxygenase	MPTPDATTPQAKGFRRAVSELDAKQAEAIMVRGQGAPGPSLTGSPWPGTA...	unknown
Pterin-4-alpha-carbinolamine dehydratase	MAGKAHRLSAEERDQLLPNLRAVGWNELEGRDAIFKQFHFKDFNRAFGFM...	unknown
Dihydroneopterin aldolase	MQDTIFLKGMRFYGYHGALSAENEIGQIFKVDVTLKVDLSEAGRTDNVID...	unknown
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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