Reaction Details  Report a problem with these data
Target
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N]
Ligand
BDBM152712
Substrate
n/a
Meas. Tech.
Hemoglobin Capture Assay
pH
7.4±n/a
Temperature
310.15±n/a K
Ki
116.5±0.0 nM
Comments
extracted
Citation
 Li, H; Wang, HY; Kang, S; Silverman, RB; Poulos, TL Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase. Biochemistry 55:3702-7 (2016) [PubMed]  Article
Target
Name:
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N]
Synonyms:
Bnos | NOS1_RAT | Neuronal nitric oxide synthase mutant (D597N/M336V) | Nitric oxide synthase mutant (nNOS M336V/D597N) | Nitric oxide synthase, brain (PNNOS) [1-973,I269V,M336V,D597N] | Nos1
Type:
Protein
Mol. Mass.:
108435.83
Organism:
Rattus norvegicus (rats)
Description:
Rat neuronal nitric oxide synthase mutant M336V/D597N
Residue:
973
Sequence:
MEENTFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGGAAEQSGLIQAGDIILAVNDRPLVDLSYDSALEVLRGIASETHVVLILRGPEGFTTHLETTFTGDGTPKTIRVTQPLGPPTKAVDLSHQPSASKDQSLAVDRVTGLGNGPQHAQGHGQGAGSVSQANGVAIDPTMKSTKANLQDIGEHDELLKEIEPVLSILNSGSKATNRGGPAKAEMKDTGIQVDRDLDGKSHKAPPLGGDNDRVFNDLWGKDNVPVVLNNPYSEKEQSPTSGKQSPTKNGSPSRCPRFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIVLPSQHTRKPEDVRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRNYCDNSRYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPDPWNTHVWKGTNGTPTKRRAIGFKKLAEAVKFSAKLMGQAMAKRVKATILYATETGKSQAYAKTLCEIFKHAFDAKAMSMEEYDIVHLEHEALVLVVTSTFGNGDPPENGEKFGCALMEMRHPNSVQEERKYPEPLRFFPRKGPSLSHVDSEAHSLVAARDSQHRSYKVRFNSVSSYSDSRKSSGDGPDLRDNFESTGPLANVRFSVFGLGSRAYPHFCAFGHAVDTLLEELGGERILKMREGDELCGQEEAFRTWAKKVFKAAC
  
Inhibitor
Name:
BDBM152712
Synonyms:
4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amino}pyridin-3-yl)ethyl]pyridin-2-amine (14) | US10759791, Compound 5 | US9951014, Name 14b | nNOS inhibitor, 2
Type:
Small organic molecule
Emp. Form.:
C17H25N5
Mol. Mass.:
299.4139
SMILES:
CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
Structure:
Search PDB for entries with ligand similarity: