Structure of PDB 7tsh Chain C Binding Site BS03

Receptor Information
>7tsh Chain C (length=402) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPAPEQLLSQAR
DFINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAW
RNAPRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAI
TVFPQRCPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHG
WTPGNGRFDVLPLLLQAPDEPPELFLLPPELVLEVPLEHPTLEWFAALGL
RWYALPAVSNMLLEIGGLEFPAAPFSGWYMSTEIGTRNLCDPHRYNILED
VAVCMDLDTRTTSSLWKDKAAVEINVAVLHSYQLAKVTIVDHHAATASFM
KHLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPD
PW
Ligand information
Ligand IDKKU
InChIInChI=1S/C10H17N3/c1-8-6-9(4-3-5-12-2)13-10(11)7-8/h6-7,12H,3-5H2,1-2H3,(H2,11,13)
InChIKeyMOHLCKRYTZYOGZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNCCCc1cc(C)cc(N)n1
OpenEye OEToolkits 2.0.7Cc1cc(nc(c1)N)CCCNC
ACDLabs 12.01Cc1cc(CCCNC)nc(N)c1
FormulaC10 H17 N3
Name4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine
ChEMBLCHEMBL5191295
DrugBank
ZINC
PDB chain7tsh Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7tsh 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Resolution2.145 Å
Binding residue
(original residue number in PDB)		Q247 P334 V336 S354 E361
Binding residue
(residue number reindexed from 1)		Q169 P256 V258 S276 E283
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.13.39: nitric-oxide synthase (NADPH).
Gene Ontology
Molecular Function
GO:0004517 nitric-oxide synthase activity
Biological Process
GO:0006809 nitric oxide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7tsh, PDBe:7tsh, PDBj:7tsh
PDBsum7tsh
PubMed35772285
UniProtP29474|NOS3_HUMAN Nitric oxide synthase 3 (Gene Name=NOS3)

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