NEURONAL NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN COMPLEXED WI INHIBITOR AR-R17477
PDB id Source Resolution
1VAG RATTUS NORVEGICUS 2.0 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
H4B Valid submit data   launch gocavviewer-lite   241.247
C9 H15 N5 O3
 C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O
ARR Valid submit data   launch gocavviewer-lite   369.911
C20 H20 Cl N3 S
 [H]/N=C(/c1cccs1)Nc2ccc(cc2)CCNCc3cccc(c3)Cl
HEM Part of Protein            

STRUCTURES OF NITRIC OXIDE SYNTHASE ISOFORMS COMPLE THE INHIBITOR AR-R17477 SUGGEST A RATIONAL BASIS FO SPECIFICITY AND INHIBITOR DESIGN PROC.NATL.ACAD.SCI.USA V. 101 5892 2004

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90% Homology Family

The Class containing this family consists of a total of 8 families.
Leader:    3JWT
STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE
R349A MUTANT DOMAIN IN COMPLEX WITH N1-{(3'R
,4'R)-4'-[(6"-AMINO-4"-METHY2 "-YL)METHYL]PYRROLIDIN
-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANDI AMINE
PDB id Binding data Representative ligand
3JWT Ki = 5.3 nM JI5
1K2R   BH4
1K2T   BH4
1K2U   BH4
1LZX   BH4
1LZZ   BH4
1M00   BH4
1MMV   BH4
1MMW   BH4
1OM4   BH4
1OM5   BH4
1P6H Ki = 0.3 uM DP1
1P6I Ki = 0.15 uM DP3
1P6J Ki = 0.1 uM DP9
1P6K Ki = 67.0 uM DP1
1QW6   H4B
1QWC   H4B
1RS6   BH4
1RS7   BH4
1VAG   H4B
1ZVI   H4B
1ZVL   ARG
1ZZQ Ki = 20.0 uM DP9
1ZZR Ki = 42.0 uM DP9
1ZZU Ki = 63.3 uM DP1
2G6H   ARG
2G6I   ARG
2G6J   ARG
2G6K   ARG
2G6L   ARG
2G6M   ARG
2G6N   ARG
2HX3 Ki = 0.12 uM 3HX
2HX4 Ki = 0.31 uM 4HX
3B3M Ki = 47.94 uM JI1
3B3N Ki = 388.0 nM JI2
3B3O Ki = 0.085 uM JI3
3B3P Ki = 0.25 uM JI7
3DQR Ki = 0.388 uM JI2
3HSN   HAR
3HSO   HAR
3HSP   HAR
3JT3 Ki = 0.9 uM JM2
3JT4 Ki = 33.0 uM JM8
3JT5 Ki = 8.6 uM JM7
3JT6 Ki = 32.0 uM JM6
3JT7 Ki = 59.0 uM JM5
3JT8   JM4
3JT9 Ki = 8.6 uM JM7
3JTA Ki = 32.0 uM JM6
3JWS Ki = 52.2 nM JI4
3JWU Ki = 171.0 nM J11
3JWV Ki = 18.9 nM J14
3JX0 Ki = 1190.0 nM JI4
3JX1 Ki = 290.0 nM JI5
3JX2 Ki = 1190.0 nM JI4
3JX3 Ki = 180.0 nM JI5
3JX4   H4B
3JX5   J14
3JX6 Ki = 2180.0 nM JI5
3N2R Ki = 3.0 uM XJH
3N5V   H4B
3N5W Ki = 25.0 nM XFJ
3N5X Ki = 103.0 nM XFK
3N5Y Ki = 99.0 nM XFL
3N5Z Ki = 195.0 nM XFM
3N60 Ki = 85.0 nM XFN
3N61   H4B
3N62   H4B
3N63   XFN
3N64   XFN
3N65   XFJ
3N66   XFN
3NLJ   H4B
3NLK Ki = 116.0 nM JSS
3NLM Ki = 7.2 nM JRR
3NLN   JRS
3NLO   H4B
3NLP   H4B
3NLQ   H4B
3NLR   JRS
3NLV Ki = 0.39 uM 3XA
3NLW Ki = 2.7 uM 3XF
3NLX Ki = 0.036 uM 3XB
3NLY Ki = 0.16 uM 3XC
3NLZ Ki = 0.085 uM 3XD
3NM0 Ki = 0.17 uM 3XE
3NNY Ki = 50.0 nM 59R
3NNZ Ki = 220.0 nM 59W
3PNE Ki = 0.086 uM 8AX
3PNF Ki = 0.17 uM 8BX
3PNG Ki = 0.026 uM 8CX
3Q99   JM8
3Q9A   JM7
3SVP Ki = 0.077 uM JK5
3SVQ Ki = 0.18 uM JK4