AP4

7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE

Created:	1999-12-16
Last modified:	2021-03-13

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1 entries where AP4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	6

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Chemical Component Summary
Name	7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE
Synonyms	5,6-CYCLIC-TETRAHYDROPTERIDINE
Systematic Name (OpenEye OEToolkits)	(6aR)-3-amino-5,6,6a,7-tetrahydro-2H-[1,3]oxazolo[3,4-f]pteridine-1,9-dione
Formula	C₈ H₉ N₅ O₃
Molecular Weight	223.189
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C3=C(N=C(N)N1)NCC2N3C(=O)OC2
SMILES	CACTVS	3.341	NC1=NC2=C(N3[CH](CN2)COC3=O)C(=O)N1
SMILES	OpenEye OEToolkits	1.5.0	C1C2COC(=O)N2C3=C(N1)N=C(NC3=O)N
Canonical SMILES	CACTVS	3.341	NC1=NC2=C(N3[C@H](CN2)COC3=O)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N
InChI	InChI	1.03	InChI=1S/C8H9N5O3/c9-7-11-5-4(6(14)12-7)13-3(1-10-5)2-16-8(13)15/h3H,1-2H2,(H4,9,10,11,12,14)/t3-/m1/s1
InChIKey	InChI	1.03	XAZOBOCYEGBXHD-GSVOUGTGSA-N

Drug Info: DrugBank

DrugBank ID	DB03332
Name	5,6-Cyclic-Tetrahydropteridine
Groups	experimental
Synonyms	5,6-Cyclic-Tetrahydropteridine

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