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P29474 | NOS3_HUMAN | "Nitric oxide synthase, endothelial" (NOS3)

3D structures mapped by conservation among orthologs

[ Domain: "Nitric oxide (NO) synthase oxygenase domain" // NO_synthase ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL227744 OBDepict NH NH N H + N O _ O H 2 N H O HO Ki = 30.0 nM 219.2 N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-] Homo sapiens CHEMBL678091 single protein format
CHEMBL294084 OBDepict CH 3 N CH 3 H 2 N IC50 = 49.0 nM 136.2 CCc1cc(C)cc(N)n1 Homo sapiens CHEMBL676782 single protein format
CHEMBL302657 OBDepict CH 3 N CH 3 H 2 N IC50 = 50.0 nM 150.22 CCCc1cc(C)cc(N)n1 Homo sapiens CHEMBL678077 single protein format
CHEMBL227937 OBDepict H 2 N HN H 2 N H HN N H NH + N O _ O Ki = 80.0 nM 247.3 N=C(NCCC[C@H](N)CNCCN)N[N+](=O)[O-] Homo sapiens CHEMBL1011818 single protein format
CHEMBL1221702 OBDepict H CH 3 O N H 2 N S IC50 = 80.0 nM 182.25 C[C@H]1CN=C(N)c2sccc2O1 Homo sapiens CHEMBL1227493 single protein format
CHEMBL61427 OBDepict NH 2 CH 3 NH 2 N IC50 = 81.0 nM 123.16 Cc1ccnc(N)c1N Homo sapiens CHEMBL676782 single protein format
CHEMBL474637 OBDepict Cl N H NH H HN H N CH 3 NH 2 Ki = 85.2 nM 373.93 Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1 Homo sapiens CHEMBL1011818 single protein format
CHEMBL526688 OBDepict Cl N H HN H NH H N CH 3 H 2 N Ki = 95.2 nM 373.93 Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 Homo sapiens CHEMBL1011818 single protein format
CHEMBL44833 OBDepict NH 2 HN H O H 2 N O NH 2 H HN N H NH + N O _ O Ki = 107.0 nM 318.34 N=C(NCCC[C@H](N)C(=O)N[C@@H](CCN)C(N)=O)N[N+](=O)[O-] Homo sapiens CHEMBL1011818 single protein format
CHEMBL228077 OBDepict _ O + N N H O N H 2 N H 2 N H N H O H NH H O H 2 N Ki = 110.0 nM 330.35 NC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCC/N=C(N)N[N+](=O)[O-])CN1 Homo sapiens CHEMBL1011818 single protein format
CHEMBL61939 OBDepict CH 3 CH 3 NH 2 N IC50 = 150.0 nM 122.17 Cc1ccnc(N)c1C Homo sapiens CHEMBL676782 single protein format
CHEMBL294609 OBDepict CH 3 CH 3 N CH 3 H 2 N IC50 = 150.0 nM 164.25 Cc1cc(N)nc(CC(C)C)c1 Homo sapiens CHEMBL676782 single protein format
CHEMBL59925 OBDepict CH 3 H 3 C N NH 2 IC50 = 170.0 nM 122.17 Cc1cc(C)nc(N)c1 Homo sapiens CHEMBL678077 single protein format
CHEMBL272708 OBDepict CH 3 N N + N CH 3 Cl O _ O IC50 = 180.0 nM 297.79 CN1CCC(N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL354788 OBDepict F N H F N NH 2 O IC50 = 180.0 nM 249.22 NC1=NC(c2ccco2)Nc2c(F)ccc(F)c21 Homo sapiens CHEMBL873599 single protein format
CHEMBL1230023 OBDepict CH 3 H N H O HN S IC50 = 200.0 nM 210.3 CCC[C@H]1COc2ccsc2C(=N)N1 Homo sapiens CHEMBL2155041 single protein format
CHEMBL1221703 OBDepict CH 3 H N O H 2 N S IC50 = 200.0 nM 210.3 CCC[C@@H]1COc2ccsc2C(N)=N1 Homo sapiens CHEMBL1227493 single protein format
CHEMBL299677 OBDepict CH 3 N H 2 N CH 3 CH 3 IC50 = 200.0 nM 150.22 Cc1cc(N)nc(C(C)C)c1 Homo sapiens CHEMBL676782 single protein format
CHEMBL6808 OBDepict CH 3 N NH 2 IC50 = 220.0 nM 112.18 CC1CCN=C(N)C1 Homo sapiens CHEMBL676782 single protein format
CHEMBL428069 OBDepict N N Cl CH 3 N IC50 = 220.0 nM 367.92 CN(Cc1cc(Cl)ccc1C#N)C1CCN(CCc2ccccc2)CC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL75304 OBDepict CH 3 N H 2 N IC50 = 230.0 nM 110.16 CC1=CC(N)=NCC1 Homo sapiens CHEMBL675569 cell-based format
CHEMBL62077 OBDepict CH 3 N H 2 N IC50 = 230.0 nM 122.17 CCc1ccnc(N)c1 Homo sapiens CHEMBL676782 single protein format
CHEMBL74919 OBDepict CH 3 CH 3 N H 2 N IC50 = 240.0 nM 124.19 CC1=CC(N)=NC(C)C1 Homo sapiens CHEMBL675569 cell-based format
CHEMBL1783094 OBDepict H NH HN H 2 N IC50 = 250.0 nM 99.14 N=C(N)[C@H]1CCN1 Homo sapiens CHEMBL1786327 single protein format
CHEMBL298404 OBDepict HO O NH 2 N NH 2 NH 2 Ki = 250.0 nM 222.25 NC(N)=Nc1ccccc1CC(N)C(=O)O Homo sapiens CHEMBL853635 single protein format
CHEMBL49881 OBDepict CH 3 N N H NH 2 H 2 N O HO Ki = 270.0 nM 236.28 C/N=C(/N)Nc1ccccc1CC(N)C(=O)O Homo sapiens CHEMBL853635 single protein format
CHEMBL269076 OBDepict CH 3 CH 3 N H 2 N IC50 = 300.0 nM 126.2 CC1CC(N)=NC(C)C1 Homo sapiens CHEMBL678078 single protein format
CHEMBL40833 OBDepict CH 3 N NH 2 IC50 = 300.0 nM 108.14 Cc1ccnc(N)c1 Homo sapiens CHEMBL678077 single protein format
CHEMBL75484 OBDepict H 3 C CH 3 H 2 N N IC50 = 320.0 nM 124.19 CC1=C(C)C(N)=NCC1 Homo sapiens CHEMBL675569 cell-based format
CHEMBL555794 OBDepict CH 3 S N H NH H 2 N BrH BrH Ki = 320.0 nM 371.14 Br.Br.CSCC(=N)Nc1cccc(CN)c1 Homo sapiens CHEMBL678091 single protein format
CHEMBL312870 OBDepict CH 3 N H N H NH NH 2 O OH IC50 = 330.0 nM 188.23 CNC(=N)NCCCC(N)C(=O)O Homo sapiens CHEMBL873599 single protein format
CHEMBL552825 OBDepict H 2 N N H NH O BrH BrH Ki = 350.0 nM 377.08 Br.Br.N=C(Nc1cccc(CN)c1)c1ccco1 Homo sapiens CHEMBL678091 single protein format
CHEMBL72316 OBDepict H 2 C N CH 3 H 2 N IC50 = 360.0 nM 150.22 C=CCC1CC(C)=CC(N)=N1 Homo sapiens CHEMBL675569 cell-based format
CHEMBL475797 OBDepict OH NH H HN H N NH 2 Ki = 366.6 nM 250.35 Nc1cccc(C[C@H]2CNC[C@H]2NCCCO)n1 Homo sapiens CHEMBL1011818 single protein format
CHEMBL86810 OBDepict CH 3 CH 3 N N N NH 2 IC50 = 372.0 nM 338.5 CC(C)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1 Homo sapiens CHEMBL676784 single protein format
CHEMBL256147 OBDepict CH 3 N H N H NH NH 2 H O OH Ki = 400.0 nM 188.23 CNC(=N)NCCC[C@H](N)C(=O)O Homo sapiens CHEMBL853635 single protein format
CHEMBL545673 OBDepict CH 3 S N H NH IH Ki = 400.0 nM 308.19 CCSC(=N)Nc1ccccc1.I Homo sapiens CHEMBL678090 single protein format
CHEMBL555715 OBDepict H 2 N N H NH S BrH BrH Ki = 400.0 nM 393.15 Br.Br.N=C(Nc1cccc(CN)c1)c1cccs1 Homo sapiens CHEMBL678091 single protein format
CHEMBL106516 OBDepict CH 3 S N H NH NH 2 H O OH IC50 = 400.0 nM 205.28 CSC(=N)NCCC[C@H](N)C(=O)O Homo sapiens CHEMBL829391 cell-based format
CHEMBL3215893 OBDepict NH N H S N N ClH ClH IC50 = 410.0 nM 413.42 Cl.Cl.N=C(Nc1ccc2c(c1)CCN2CCN1CCCC1)c1cccs1 Homo sapiens CHEMBL2209792 cell-based format
CHEMBL510760 OBDepict H 2 N HN H N H H N H 2 N Ki = 416.7 nM 235.34 NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 Homo sapiens CHEMBL1011818 single protein format
CHEMBL76342 OBDepict CH 3 N NH 2 IC50 = 440.0 nM 110.16 CC1=CCN=C(N)C1 Homo sapiens CHEMBL675569 cell-based format
CHEMBL87529 OBDepict NH 2 N N N IC50 = 448.0 nM 386.54 Nc1cccc(-c2ccc(CCN3CCN(CCc4ccccc4)CC3)cc2)n1 Homo sapiens CHEMBL676784 single protein format
CHEMBL362772 OBDepict NH 2 N O IC50 = 450.0 nM 114.15 NC1=NCCCOC1 Homo sapiens CHEMBL831700 single protein format
CHEMBL258310 OBDepict CH 3 N N CH 3 Cl N IC50 = 450.0 nM 291.83 CCN1CCC(N(C)Cc2cc(Cl)ccc2C#N)CC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL191242 OBDepict H 2 N N H CH 3 H H IC50 = 470.0 nM 152.24 C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 Homo sapiens CHEMBL831101 single protein format
CHEMBL227744 OBDepict NH NH N H + N O _ O H 2 N H O HO IC50 = 500.0 nM 219.2 N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-] Homo sapiens CHEMBL678360 single protein format
CHEMBL353794 OBDepict OH O H 2 N H N + N O _ O NH H 2 N IC50 = 500.0 nM 219.2 N=C(N)N(CCC[C@H](N)C(=O)O)[N+](=O)[O-] Homo sapiens CHEMBL676786 single protein format
CHEMBL75428 OBDepict CH 3 H H 2 N N H IC50 = 510.0 nM 150.22 CC1=CC(N)=N[C@@H]2CCC[C@H]12 Homo sapiens CHEMBL675569 cell-based format
CHEMBL75905 OBDepict CH 3 CH 3 H 2 N N IC50 = 520.0 nM 124.19 CC1=CC(N)=NCC1C Homo sapiens CHEMBL675569 cell-based format
CHEMBL185024 OBDepict CH 3 N H 3 C NH 2 IC50 = 520.0 nM 126.2 CCC1N=C(N)CC1C Homo sapiens CHEMBL832755 single protein format
CHEMBL402425 OBDepict CH 3 H 3 C N N CH 3 Cl N IC50 = 540.0 nM 333.91 CC(C)CCN1CCC(N(C)Cc2cc(Cl)ccc2C#N)CC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL256147 OBDepict CH 3 N H N H NH NH 2 H O OH IC50 = 540.0 nM 188.23 CNC(=N)NCCC[C@H](N)C(=O)O Homo sapiens CHEMBL678075 single protein format
CHEMBL428248 OBDepict H 3 C N CH 3 HN Cl N IC50 = 570.0 nM 291.83 CC(C)N(Cc1cc(Cl)ccc1C#N)C1CCNCC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL75496 OBDepict H 3 C N CH 3 H 2 N IC50 = 580.0 nM 152.24 CCCC1CC(C)=CC(N)=N1 Homo sapiens CHEMBL675569 cell-based format
CHEMBL293022 OBDepict H 2 N N CH 3 CH 3 IC50 = 600.0 nM 122.17 Cc1cnc(N)cc1C Homo sapiens CHEMBL676782 single protein format
CHEMBL265672 OBDepict CH 3 N NH 2 IC50 = 600.0 nM 112.18 CC1CCCC(N)=N1 Homo sapiens CHEMBL678078 single protein format
CHEMBL185584 OBDepict H 2 N N CH 3 CH 3 IC50 = 600.0 nM 112.18 CC1CC(N)=NC1C Homo sapiens CHEMBL832755 single protein format
CHEMBL269058 OBDepict NH NH IC50 = 630.0 nM 98.15 N=C1CCCCN1 Homo sapiens CHEMBL831101 single protein format
CHEMBL3217190 OBDepict H 3 C N H N H NH H 2 N H O OH ClH ClH IC50 = 650.0 nM 261.15 CNC(=N)NCCC[C@H](N)C(=O)O.Cl.Cl Homo sapiens CHEMBL1839728 cell-based format
CHEMBL1956111 OBDepict CH 3 N H N H NH NH 2 H O O H 3 C IC50 = 650.0 nM 202.26 CNC(=N)NCCC[C@H](N)C(=O)OC Homo sapiens CHEMBL1959623 cell-based format
CHEMBL332148 OBDepict CH 3 NH H O HO N H NH H 2 N IC50 = 650.0 nM 188.23 CN[C@@H](CCCNC(=N)N)C(=O)O Homo sapiens CHEMBL2037691 cell-based format
CHEMBL1256014 OBDepict CH 3 O O NH 2 H N H NH HN + N O _ O ClH IC50 = 680.0 nM 269.69 COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-].Cl Homo sapiens CHEMBL1839728 cell-based format
CHEMBL257008 OBDepict CH 3 N N CH 3 Cl N IC50 = 680.0 nM 319.88 CCCCN1CCC(N(C)Cc2cc(Cl)ccc2C#N)CC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL87544 OBDepict NH 2 N N N O IC50 = 685.0 nM 400.53 Nc1cccc(-c2ccc(CCN3CCN(C(=O)Cc4ccccc4)CC3)cc2)n1 Homo sapiens CHEMBL676784 single protein format
CHEMBL233653 OBDepict NH N H S S N N H N N N H IC50 = 700.0 nM 451.63 N=C(Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1 Homo sapiens CHEMBL892680 single protein format
CHEMBL3215676 OBDepict O N N N H NH S ClH ClH IC50 = 770.0 nM 427.4 Cl.Cl.N=C(Nc1ccc2c(c1)CCN2C(=O)CN1CCCC1)c1cccs1 Homo sapiens CHEMBL2209792 cell-based format
CHEMBL256249 OBDepict CH 3 N N CH 3 Cl N IC50 = 770.0 nM 277.8 CN1CCC(N(C)Cc2cc(Cl)ccc2C#N)CC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL290476 OBDepict NH 2 N O N IC50 = 785.0 nM 323.44 Nc1cccc(-c2ccc(OCCN3CCCC3)c3c2CCC3)n1 Homo sapiens CHEMBL678359 single protein format
CHEMBL11471 OBDepict CH 3 NH HN NH 2 H O HO Ki = 810.0 nM 173.22 CC(=N)NCCC[C@H](N)C(=O)O Homo sapiens CHEMBL853635 single protein format
CHEMBL436643 OBDepict CH 3 N N CH 3 Br N IC50 = 810.0 nM 322.25 CN1CCC(N(C)Cc2cc(Br)ccc2C#N)CC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL87186 OBDepict CH 3 HN CH 3 O N N N NH 2 IC50 = 815.0 nM 381.52 CC(C)NC(=O)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1 Homo sapiens CHEMBL676784 single protein format
CHEMBL256069 OBDepict CH 3 N N Br CH 3 Cl IC50 = 820.0 nM 331.68 CN1CCC(N(C)Cc2cc(Cl)ccc2Br)CC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL61591 OBDepict CH 3 N NH 2 IC50 = 820.0 nM 108.14 Cc1cccc(N)n1 Homo sapiens CHEMBL676782 single protein format
CHEMBL87187 OBDepict NH 2 N N N N IC50 = 825.0 nM 409.54 Nc1cccc(-c2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2)n1 Homo sapiens CHEMBL676784 single protein format
CHEMBL191675 OBDepict NH 2 N H H CH 3 H IC50 = 830.0 nM 166.27 C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12 Homo sapiens CHEMBL831101 single protein format
CHEMBL256620 OBDepict H 3 C N N Cl N IC50 = 860.0 nM 317.86 CN(Cc1cc(Cl)ccc1C#N)C1CCN(CC2CC2)CC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL433589 OBDepict H 2 N N H CH 3 H H IC50 = 870.0 nM 152.24 C[C@H]1CC(N)=N[C@H]2CCC[C@@H]12 Homo sapiens CHEMBL831101 single protein format
CHEMBL40391 OBDepict NH 2 N N N O IC50 = 887.0 nM 400.53 Nc1cccc(-c2ccc(CCN3CCN(CC(=O)c4ccccc4)CC3)cc2)n1 Homo sapiens CHEMBL676784 single protein format
CHEMBL543806 OBDepict CH 3 S N H NH Cl ClH Ki = 900.0 nM 251.18 CCSC(=N)Nc1ccc(Cl)cc1.Cl Homo sapiens CHEMBL678090 single protein format
CHEMBL233652 OBDepict NH N H S S N N H N IC50 = 900.0 nM 379.51 N=C(Nc1ccc2nc(NCCc3ccccn3)sc2c1)c1cccs1 Homo sapiens CHEMBL892680 single protein format
CHEMBL315966 OBDepict NH 2 N H O H IC50 = 960.0 nM 188.23 NC1=Nc2ccccc2[C@H]2COC[C@@H]12 Homo sapiens CHEMBL677471 single protein format
CHEMBL271248 OBDepict N N Cl CH 3 N H IC50 = 983.0 nM 263.77 CN(Cc1cc(Cl)ccc1C#N)C1CCCNC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL543098 OBDepict CH 3 S N H NH H 3 C ClH Ki = 1000.0 nM 230.76 CCSC(=N)Nc1ccc(C)cc1.Cl Homo sapiens CHEMBL678090 single protein format
CHEMBL403952 OBDepict H 3 C N NH Cl N IC50 = 1000.0 nM 277.8 CCN(Cc1cc(Cl)ccc1C#N)C1CCNCC1 Homo sapiens CHEMBL946888 cell-based format
CHEMBL186431 OBDepict CH 3 H N S NH 2 IC50 = 1000.0 nM 172.3 CCC[C@H]1CSCCC(N)=N1 Homo sapiens CHEMBL831700 single protein format
CHEMBL113793 OBDepict CH 3 O N H 2 N IC50 = 1000.0 nM 124.14 COc1ccnc(N)c1 Homo sapiens CHEMBL678077 single protein format