54 complex(es)
PDB ID
Protein Name
Organism
Uniprot ID/ACC
Ligand Name
HET ID
Structure
PS-Score (Pocket Similarity)
Card
1 6X4A Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile 7AY 0.92 SHOW
2 6X4E Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate UMV 0.92 SHOW
3 6X4F Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate UMV 0.9 SHOW
4 5TW3 Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile 7N1 0.9 SHOW
5 6X47 Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile 7AX 0.89 SHOW
6 6X4B Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile UMY 0.88 SHOW
7 6X4C Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile UNS 0.85 SHOW
8 6DTW Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile H9Y 0.83 SHOW
9 6X49 Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile 7AX 0.81 SHOW
10 4KV8 Reverse transcriptase Human immunodeficiency virus type 1 group M subtype B P04585 (POL_HV1H2) 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one 1WT 0.77 SHOW
11 6DTX Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile H9Y 0.76 SHOW
12 1S1V Reverse transcriptase Human immunodeficiency virus type 1 group M subtype B P04585 (POL_HV1H2) 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL TNK 0.76 SHOW
13 6UL5 Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile QAG 0.75 SHOW
14 1S6Q Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE TPB 0.73 SHOW
15 1IKX Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE PNU 0.73 SHOW
16 1S9E Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE ADB 0.69 SHOW
17 3MEG Reverse transcriptase Human immunodeficiency virus type 1 group M subtype B P04585 (POL_HV1H2) 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile T27 0.65 SHOW
18 6NW4 Indole-3-glycerol phosphate synthase Saccharolobus solfataricus Q06121 (TRPC_SACS2) 6-NITROBENZOTRIAZOLE 6NT 0.46 SHOW
19 2YK1 Fab fragment heavy chain Homo sapiens - (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE NCT 0.46 SHOW
20 5IVE Lysine-specific demethylase 5A Homo sapiens P29375 (KDM5A_HUMAN) 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile 6E8 0.43 SHOW
21 6YLV Eukaryotic translation initiation factor 4E Mus musculus P63073 (IF4E_MOUSE) 4-Cl-Bn7GpppG mRNA 5' cap analog OYW 0.43 SHOW
22 4KYS Thiamine pyridinylase I Clostridium botulinum A str. ATCC 19397 - 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM VIB 0.43 SHOW
23 5CEH Lysine-specific demethylase 5A Homo sapiens P29375 (KDM5A_HUMAN) 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile 50P 0.43 SHOW
24 2ZJU Acetylcholine-binding protein Lymnaea stagnalis P58154 (ACHP_LYMST) (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine IM4 0.42 SHOW
25 6EIU Lysine-specific demethylase 5B Homo sapiens Q9UGL1 (KDM5B_HUMAN) 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile B6T 0.42 SHOW
26 2F6J Nucleosome-remodeling factor subunit BPTF Homo sapiens Q12830 (BPTF_HUMAN) N-TRIMETHYLLYSINE M3L 0.42 SHOW
27 6KCU JIL-1 anchoring and stabilizing protein, isoform A Drosophila melanogaster Q9VAA9 (Q9VAA9_DROME) 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL BTB 0.42 SHOW
28 2ZJV Acetylcholine-binding protein Lymnaea stagnalis P58154 (ACHP_LYMST) 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine CT4 0.41 SHOW
29 5PNN Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
30 5JSP Dimethylsulfonioproprionate lyase DddQ Ruegeria lacuscaerulensis D0CY60 (DDDQ_RUELI) 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid DQY 0.41 SHOW
31 5PL0 Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
32 5F5C Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one 5V3 0.41 SHOW
33 5PNM Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
34 5LY2 Lysine-specific demethylase 4A Homo sapiens O75164 (KDM4A_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
35 5PNQ Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
36 2KVM Chromobox protein homolog 7 Mus musculus Q8VDS3 (CBX7_MOUSE) N-DIMETHYL-LYSINE MLY 0.41 SHOW
37 5PMK Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
38 5PHT Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
39 6ADU 12-epi-hapalindole U synthase Fischerella V5TER4 (V5TER4_9CYAN) (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole 9UL 0.41 SHOW
40 5PM1 Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
41 5PMN Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
42 5PM9 Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
43 5PJJ Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
44 5PL7 Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
45 6HIS 5-hydroxytryptamine receptor 3A Mus musculus P23979 (5HT3A_MOUSE) (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE TKT 0.41 SHOW
46 5PNI Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
47 5PLD Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
48 3NK2 6-hydroxy-L-nicotine oxidase Paenarthrobacter nicotinovorans Q93NH4 (Q93NH4_PAENI) L-DOPAMINE LDP 0.41 SHOW
49 5PIQ Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
50 4ALX Acetylcholine-binding protein Lymnaea stagnalis P58154 (ACHP_LYMST) (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one IZN 0.41 SHOW