| Index | Ligand Name | Ligand Structure | Gene Name Primary | Protein Name | Uniprot ID | Gene Name Synonym | PDB Codes |
| 1 | s71 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4ctw |
| 2 | s42 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4ctu |
| 3 | q14 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4k5f |
| 4 | kpj | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6ngh, 6ngz |
| 5 | kns | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6nhb, 6nhe |
| 6 | knd | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6ngi, 6nh0 |
| 7 | kn4 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6ngf, 6ngy |
| 8 | kmv | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6nge, 6ngx |
| 9 | kmj | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6ngb, 6ngu |
| 10 | kmd | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6ng5, 6ngm |
| 11 | km7 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6ng2, 6ngk |
| 12 | kl1 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6ng8, 6ngs |
| 13 | kky | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6ngp |
| 14 | ji2 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3b3n, 3dqr |
| 15 | hw6 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3ufs |
| 16 | by7 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6auu, 6av2 |
| 17 | 7s7 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4ctv |
| 18 | 71s | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4ctx |
| 19 | arr | | NOS1 | Nitric oxide synthase, brain | P29475 | | 1vag |
| 20 | j14 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3jwv, 3jx5 |
| 21 | xjh | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3n2r |
| 22 | 3xb | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3nlx |
| 23 | 3xd | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3nlz |
| 24 | 3xe | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3nm0 |
| 25 | 59r | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3nny |
| 26 | 8ax | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3pne |
| 27 | y2b | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3rqj |
| 28 | x2c | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3rqk |
| 29 | x2d | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3rql |
| 30 | y2f | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3rqn |
| 31 | x2e | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3rqm |
| 32 | jk4 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3svq |
| 33 | dxw | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3tyo |
| 34 | hw4 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3ufo |
| 35 | hw7 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3uft |
| 36 | m87 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4cam |
| 37 | s20 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4ctr |
| 38 | hw9 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3ufv, 4cx4 |
| 39 | eg8 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4v3u |
| 40 | e2z | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4v3w |
| 41 | olw | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4d31, 4uch |
| 42 | q10 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4jsg |
| 43 | q16 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4c39, 4cx6 |
| 44 | 5h4 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4kco |
| 45 | d8h | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5fvo |
| 46 | h65 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5fvr, 5fvv |
| 47 | w66 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5fvs, 5fvw |
| 48 | w67 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5fvt, 5fvx, 5g0p |
| 49 | m7k | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4can |
| 50 | 9om | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5vv0 |
| 51 | 9p4 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5vup, 5vv2 |
| 52 | w82 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6aux, 6av5 |
| 53 | w80 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6av4 |
| 54 | w79 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6auv, 6av3 |
| 55 | byv | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6aus, 6av0 |
| 56 | byj | | NOS1 | Nitric oxide synthase, brain | P29475 | | 6auq, 6auy |
| 57 | jht | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5vuj, 5vuw |
| 58 | 8f1 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5unx, 5uo4 |
| 59 | 8f7 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5unw |
| 60 | 8j7 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5unv |
| 61 | 8j1 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5unt |
| 62 | exi | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4uh1, 4uh5, 5g0n |
| 63 | w30 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5fw0 |
| 64 | wos | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5fvp |
| 65 | 8vj | | NOS1 | Nitric oxide synthase, brain | P29475 | | 5ad9 |
| 66 | s84 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4uh2 |
| 67 | sko | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4uh0 |
| 68 | 5h3 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4kcn |
| 69 | q15 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 4jsh |
| 70 | cxw | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3tyn |
| 71 | 08r | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3tym |
| 72 | axw | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3tyl |
| 73 | jsr | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3nlo |
| 74 | ji1 | | NOS1 | Nitric oxide synthase, brain | P29475 | | 3b3m |
| 75 | q1t | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 4uh4, 4uh6, 4uha |
| 76 | knv | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 6nhc, 6nhd, 6nhf |
| 77 | kms | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 6ngd, 6ngw, 6nh8 |
| 78 | kmm | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 6ngc, 6ngv, 6nh7 |
| 79 | kma | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 6ng4, 6ngl, 6nh2 |
| 80 | kld | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 6ng7, 6ngr, 6nh5 |
| 81 | kla | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 6ngq, 6nh4 |
| 82 | kl7 | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 6nga, 6ngt, 6nh6 |
| 83 | kl4 | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 6ng6, 6ngn, 6nh3 |
| 84 | f2j | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 6cid, 6cif |
| 85 | 7r2 | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 6cic, 6cie |
| 86 | hw0 | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 3ufw, 4cwx |
| 87 | hw8 | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 4cwv, 4cx3 |
| 88 | qj8 | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 4luw, 4lux |
| 89 | hw1 | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 4cwy, 4eux |
| 90 | 4v4 | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 4ugz, 4uh7 |
| 91 | 7m3 | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 5ad6, 5adk |
| 92 | xeb | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 5adb, 5ade, 5adg, 5fj2, 5fj3 |
| 93 | w64 | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 5fvq, 5fvu, 5fvy, 5g0o |
| 94 | 2sn | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 5ada, 5adf, 5adn |
| 95 | m85 | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 5ad7, 5add, 5adl |
| 96 | m94 | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 5ad5, 5adj |
| 97 | 8j4 | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 5uns, 5uo2, 5uo9 |
| 98 | m4r | | NOS1,NOS3 | Nitric oxide synthase, brain | P29475 | | 5uny, 5unz, 5uo5, 5uo6, 5uob |
| 99 | 8fd | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 5uny, 5uo0, 5uo5, 5uo7, 5uoc |
| 100 | 8ey | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 5unu, 5uo3, 5uoa, 5uod |
| 101 | xh8 | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 5vum, 5vuz, 5vv7 |
| 102 | w68 | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 6aur, 6auz, 6av6 |
| 103 | w69 | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 6aut, 6av1, 6av7 |
| 104 | s85 | | NOS1,NOS3 | Nitric oxide synthase, endothelial | P29474 | | 4uh3, 4uh9 |
| 105 | at2 | | NOS2,NOS3 | Nitric oxide synthase, inducible | P35228 | NOS2A | 3e7g, 3e7s |
| 106 | s5d | | NOS3 | Nitric oxide synthase, endothelial | P29474 | | 4cty |
| 107 | pqw | | NOS3 | Nitric oxide synthase, endothelial | P29474 | | 4upt |
| 108 | i5u | | NOS3 | Nitric oxide synthase, endothelial | P29474 | | 4upq |
| 109 | 6e5 | | NOS3 | Nitric oxide synthase, endothelial | P29474 | | 4ups |
| 110 | ji5 | | NOS3 | Nitric oxide synthase, endothelial | P29474 | | 3jwx |
| 111 | 3xf | | NOS3 | Nitric oxide synthase, endothelial | P29474 | | 3nlt |