| Reaction Details |
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 | Report a problem with these data |
| Target | Nitric oxide synthase, endothelial |
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| Ligand | BDBM21960 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_65147 (CHEMBL679288) |
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| Ki | 524000±n/a nM |
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| Citation |  Ji, H; Li, H; Flinspach, M; Poulos, TL; Silverman, RB Computer modeling of selective regions in the active site of nitric oxide synthases: implication for the design of isoform-selective inhibitors. J Med Chem46:5700-11 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Nitric oxide synthase, endothelial |
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| Name: | Nitric oxide synthase, endothelial |
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| Synonyms: | Nitric Oxide Synthase, endothelial |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 65147 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Nitric oxide synthase, endothelial |
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| Synonyms: | Constitutive NOS | EC-NOS | Endothelial NOS | Endothelial nitric oxide synthase | NOS type III | NOS3 | NOS3_HUMAN | NOSIII | Nitric oxide synthase (inducible and endothelial) | Nitric oxide synthase, endothelial (eNOS) | Nitric-oxide synthase (endothelial and brain) | cNOS | eNOS |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 133297.84 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P29474 |
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| Residue: | 1203 |
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| Sequence: | MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAPEHSPPSSPLT
QPPEGPKFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPRKLQGRPSPGPPAP
EQLLSQARDFINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAWRN
APRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAITVFPQRCPGRGD
FRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDDPP
ELFLLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFPAAPFSGWYMST
EIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINVAVLHSYQLAKVTIVDH
HAATASFMKHLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPDPW
KGSAAKGTGITRKKTFKEVANAVKISASLMGTVMAKRVKATILYGSETGRAQSYAQQLGR
LFRKAFDPRVLCMDEYDVVSLEHETLVLVVTSTFGNGDPPENGESFAAALMEMSGPYNSS
PRPEQHKSYKIRFNSISCSDPLVSSWRRKRKESSNTDSAGALGTLRFCVFGLGSRAYPHF
CAFARAVDTRLEELGGERLLQLGQGDELCGQEEAFRGWAQAAFQAACETFCVGEDAKAAA
RDIFSPKRSWKRQRYRLSAQAEGLQLLPGLIHVHRRKMFQATIRSVENLQSSKSTRATIL
VRLDTGGQEGLQYQPGDHIGVCPPNRPGLVEALLSRVEDPPAPTEPVAVEQLEKGSPGGP
PPGWVRDPRLPPCTLRQALTFFLDITSPPSPQLLRLLSTLAEEPREQQELEALSQDPRRY
EEWKWFRCPTLLEVLEQFPSVALPAPLLLTQLPLLQPRYYSVSSAPSTHPGEIHLTVAVL
AYRTQDGLGPLHYGVCSTWLSQLKPGDPVPCFIRGAPSFRLPPDPSLPCILVGPGTGIAP
FRGFWQERLHDIESKGLQPTPMTLVFGCRCSQLDHLYRDEVQNAQQRGVFGRVLTAFSRE
PDNPKTYVQDILRTELAAEVHRVLCLERGHMFVCGDVTMATNVLQTVQRILATEGDMELD
EAGDVIGVLRDQQRYHEDIFGLTLRTQEVTSRIRTQSFSLQERQLRGAVPWAFDPPGSDT
NSP
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| Component 2 |
| Name: | Nitric oxide synthase, endothelial |
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| Synonyms: | Constitutive NOS | Endothelial NOS | Endothelial nitric oxide synthase | Endothelial nitric-oxide synthase (eNOS) | NOS type III | NOS3 | NOS3_BOVIN | Nitric oxide synthase, endothelial (eNOS) | Nitric-oxide synthase, endothelial | cNOS |
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| Type: | Enzyme |
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| Mol. Mass.: | 133292.26 |
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| Organism: | Bos taurus (bovine) |
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| Description: | Recombinant eNOS overexpressed in E. coli was used in enzyme assays. |
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| Residue: | 1205 |
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| Sequence: | MGNLKSVGQEPGPPCGLGLGLGLGLCGKQGPASPAPEPSRAPAPATPHAPDHSPAPNSPT
LTRPPEGPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRCCLGSLVLPRKLQTRPSPGPP
PAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAW
RNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGR
GDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDE
APELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYM
STEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIV
DHHAATVSFMKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRYQPD
PWKGSATKGAGITRKKTFKEVANAVKISASLMGTLMAKRVKATILYASETGRAQSYAQQL
GRLFRKAFDPRVLCMDEYDVVSLEHEALVLVVTSTFGNGDPPENGESFAAALMEMSGPYN
SSPRPEQHKSYKIRFNSVSCSDPLVSSWRRKRKESSNTDSAGALGTLRFCVFGLGSRAYP
HFCAFARAVDTRLEELGGERLLQLGQGDELCGQEEAFRGWAKAAFQASCETFCVGEEAKA
AAQDIFSPKRSWKRQRYRLSTQAEGLQLLPGLIHVHRRKMFQATVLSVENLQSSKSTRAT
ILVRLDTAGQEGLQYQPGDHIGICPPNRPGLVEALLSRVEDPPPPTESVAVEQLEKGSPG
GPPPSWVRDPRLPPCTLRQALTFFLDITSPPSPRLLRLLSTLAEEPSEQQELETLSQDPR
RYEEWKWFRCPTLLEVLEQFPSVALPAPLLLTQLPLLQPRYYSVSSAPNAHPGEVHLTVA
VLAYRTQDGLGPLHYGVCSTWLSQLKTGDPVPCFIRGAPSFRLPPDPYVPCILVGPGTGI
APFRGFWQERLHDIESKGLQPAPMTLVFGCRCSQLDHLYRDEVQDAQERGVFGRVLTAFS
REPDSPKTYVQDILRTELAAEVHRVLCLERGHMFVCGDVTMATSVLQTVQRILATEGDME
LDEAGDVIGVLRDQQRYHEDIFGLTLRTQEVTSRIRTQSFSLQERHLRGAVPWAFDPPGP
DTPGP
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| BDBM21960 |
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| n/a |
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| Name | BDBM21960 |
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| Synonyms: | 3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-nitroguanidine | CHEMBL227937 | JMC522060 Compound 2 | N omega-Nitro-L-Arginine-Containing Dipeptide, 1 |
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| Type | n/a |
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| Emp. Form. | C8H21N7O2 |
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| Mol. Mass. | 247.298 |
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| SMILES | NCCNC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:10.9| |
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| Structure | 
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