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threshold chemical similarty (tanimoto coefficient) |
[0.5] [0.6] [0.7] [0.8] [0.9] [1.0] | max number of compounds | [1] [5] [10] [20] [30] [40] [50] |
compound | similarity | compound | similarity | compound | similarity | compound | similarity | compound | similarity |
query [2D] [3D] |
*** | PZA | 0.818 | A1U | 0.667 | KGE | 0.667 | KFW | 0.667 |
NCA | 0.667 | QOS | 0.667 | VGL | 0.667 | WM1 | 0.667 | 4FG | 0.615 |
8GC | 0.615 |
Nrank | Protein | Nresidue | pdb_id+asym_id |
1 | NADA_APLCA ADP-ribosyl cyclase | 251 |
[NCA]:![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
2 | PAND_MYCTU Aspartate 1-decarboxylase alpha chain | 91 |
[VGL]:![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
3 | PAND_MYCTU Aspartate 1-decarboxylase beta chain | 24 |
[VGL]:![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
4 | NPD2_ARCFU NAD-dependent deacetylase 2 | 252 |
[NCA]:![]() ![]() ![]() ![]() ![]() ![]() ![]() |
5 | SIR6_HUMAN NAD-dependent protein deacetylase sirtuin-6 | 288 |
[NCA]:![]() ![]() ![]() ![]() ![]() ![]() |
6 | NNMT_HUMAN Nicotinamide N-methyltransferase | 259 |
[NCA]:![]() ![]() ![]() ![]() ![]() ![]() |
7 | D0VWZ1_9MICC Amidase | 262 |
[NCA]:![]() ![]() ![]() ![]() ![]() ![]() |
8 | TNKS2_HUMAN Tankyrase-2 | 208 |
[NCA]:![]() ![]() ![]() ![]() ![]() |
9 | PERL_BOVIN Lactoperoxidase | 595 |
[PZA]:![]() ![]() ![]() ![]() |
10 | ARC3_CBDP MONO-ADP-RIBOSYLTRANSFERASE C3 | 208 |
[NCA]:![]() ![]() ![]() ![]() |
11 | HST2_YEAST NAD-dependent deacetylase HST2 | 291 |
[NCA]:![]() ![]() ![]() ![]() |
12 | Q97PM2_STRPN nicotinamidase | 189 |
[NCA]:![]() ![]() ![]() ![]() |
13 | AROC_MYCTU Chorismate synthase | 392 |
[NCA]:![]() ![]() ![]() ![]() |
14 | BST1_HUMAN bone marrow stromal cell antigen 1 | 250 |
[NCA]:![]() ![]() ![]() ![]() |
15 | CD38_HUMAN ADP-ribosyl cyclase 1 | 252 |
[NCA]:![]() ![]() ![]() ![]() |
16 | NAMPT_HUMAN Nicotinamide phosphoribosyltransferase | 466 |
[NCA]:![]() ![]() ![]() ![]() |
17 | RS1_MYCTU 30S ribosomal protein S1 | 161 |
[VGL]:![]() ![]() ![]() ![]() |
18 | A0A0H6WEL7_VIBCL Transcriptional regulator LuxR family | 226 |
[A1U]:![]() ![]() ![]() ![]() |
19 | P71817_MYCTU HYPOTHETICAL PROTEIN Rv0760c | 133 |
[NCA]:![]() ![]() ![]() ![]() |
20 | PPIA_HUMAN Peptidyl-prolyl cis-trans isomerase A | 165 |
[WM1]:![]() ![]() ![]() |
21 | Q41736_MAIZE Ferredoxin--NADP reductase | 309 |
[NCA]:![]() ![]() ![]() |
22 | NNMT_MOUSE Nicotinamide N-methyltransferase | 261 |
[8GC]:![]() ![]() |
23 | H4 peptide | 7 |
[NCA]:![]() ![]() |
24 | MAN2_DROME Alpha-mannosidase 2 | 994 |
[KFW]:![]() ![]() |
25 | DTX_CORBE DIPHTHERIA TOXIN | 501 |
[NCA]:![]() ![]() |
26 | NPD_THEMA NAD-dependent deacetylase | 234 |
[NCA]:![]() ![]() |
27 | ACCO2_ARATH 1-aminocyclopropane-1-carboxylate oxidase 2 | 298 |
[VGL]:![]() ![]() |
28 | R1AB_SARS2 Non-structural protein 3 | 167 |
[PZA]:![]() ![]() |
29 | Q8TLY9_METAC PROTOGLOBIN | 190 |
[NCA]:![]() ![]() |
30 | TOXA_PSEAE EXOTOXIN A | 189 |
[NCA]:![]() ![]() |
31 | Y856_PYRHO Uncharacterized protein PH0856 | 182 |
[NCA]:![]() ![]() |
32 | RIP1_MOMCH Ribosome-inactivating protein momordin I | 246 |
[NCA]:![]() ![]() |
33 | Q93NH4_ARTNI 6-hydroxy-L-nicotine oxidase | 425 |
[NCA]:![]() ![]() |
34 | OYE3_YEAST NADPH dehydrogenase 3 | 397 |
[NCA]:![]() ![]() |
35 | AIBP_MOUSE Apolipoprotein A-I-binding protein | 233 |
[NCA]:![]() ![]() |
36 | TRMD_HAEIN tRNA (guanine-N(1)-)-methyltransferase | 239 |
[4FG]:![]() ![]() |
37 | HSP72_HUMAN HEAT SHOCK-RELATED 70KDA PROTEIN 2 | 378 |
[PZA]:![]() ![]() |
38 | SIR2_YEAST NAD-dependent histone deacetylase SIR2 | 325 |
[NCA]:![]() ![]() |
39 | A3LT82_PICST Old Yellow Enzyme 2.6 (OYE2.6), NADPH dehydrogenase | 404 |
[NCA]:![]() ![]() |
40 | Q5NLA1_ZYMMO NADH\:FLAVIN OXIDOREDUCTASE/NADH OXIDASE | 355 |
[NCA]:![]() ![]() |
41 | H4_YEAST Histone H4 | 7 |
[NCA]:![]() ![]() |
42 | FKBP5_HUMAN Peptidyl-prolyl cis-trans isomerase FKBP5 | 128 |
[NCA]:![]() ![]() |
43 | TOXA_PSEAE EXOTOXIN A | 204 |
[NCA]:![]() ![]() |
44 | PTGR2_HUMAN Prostaglandin reductase 2 | 350 |
[NCA]:![]() |
45 | B0VA03_ACIBY NICOTINAMIDASE | 212 |
[VGL]:![]() |
46 | Q9HWU9_PSEAE Probable dehydrogenase | 230 |
[NCA]:![]() |
47 | TRFL_BOVIN Lactotransferrin' | 341 |
[NCA]:![]() |
48 | Q6RCR0_LEGPN Ubiquitinating/deubiquitinating enzyme SdeA | 146 |
[NCA]:![]() |
49 | Cyclohexanone Monooxygenase from Thermocrispum municipale | 529 |
[NCA]:![]() |
50 | SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 | 301 |
[NCA]:![]() |
51 | HA10_MOUSE H-2 class I histocompatibility antigen, Q10 alpha chain | 275 |
[NCA]:![]() |
52 | MUCA_PSEAE Sigma factor AlgU negative regulatory protein | 79 |
[NCA]:![]() |
53 | RPSH_PSEAE RNA polymerase sigma-H factor | 174 |
[NCA]:![]() |
54 | TRY1_BOVIN Cationic trypsin | 223 |
[NCA]:![]() |
55 | KAPCA_CRIGR cAMP-dependent protein kinase catalytic subunit alpha | 340 |
[NCA]:![]() |
56 | A0A0F0AZW0_VIBCL Helix-turn-helix transcriptional regulator | 200 |
[QOS]:![]() |
57 | A0A0F0AZW0_VIBCL Helix-turn-helix transcriptional regulator | 203 |
[QOS]:![]() |
58 | P53_HUMAN Cellular tumor antigen p53 peptide | 13 |
[NCA]:![]() |
59 | Q7DM12_ABRPR Abrin A-chain | 246 |
[NCA]:![]() |
60 | ECHP_RAT Peroxisomal bifunctional enzyme | 716 |
[NCA]:![]() |