45 complex(es)
PDB ID
Protein Name
Organism
Uniprot ID/ACC
Ligand Name
HET ID
Structure
PS-Score (Pocket Similarity)
Card
1 4LAR Single chain antibody fragment scFv6H4 Mus musculus - (2S)-1-phenylpropan-2-amine 1WE 0.55 SHOW
2 3GM0 Anti-methamphetamine single chain Fv Mus musculus - (2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine B41 0.53 SHOW
3 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 0.51 SHOW
4 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 0.5 SHOW
5 1UWG Antibody 14D9 Mus musculus / Homo sapiens - 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-1-METHYLPIPERIDINIUM KHA 0.5 SHOW
6 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 0.47 SHOW
7 4LAS Single chain antibody fragment scFv6H4 Mus musculus - 4-[(2S)-2-(methylamino)propyl]phenol 1WF 0.47 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 0.47 SHOW
9 6PUF Major histocompatibility complex class I-related gene protein Homo sapiens Q95460 (HMR1_HUMAN) 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol 2LJ 0.46 SHOW
10 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 0.46 SHOW
11 6X4D Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B P03366 (POL_HV1B1) 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile UO4 0.46 SHOW
12 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 0.45 SHOW
13 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 0.45 SHOW
14 4K3H Immunoglobulin lambda variable domain L5(L89S) Homo sapiens - 4-{bis[4-(dimethylamino)phenyl]methyl}phenol 1OM 0.45 SHOW
15 1S1V Reverse transcriptase Human immunodeficiency virus type 1 group M subtype B P04585 (POL_HV1H2) 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL TNK 0.45 SHOW
16 2Y57 Soluble acetylcholine receptor Aplysia californica Q8WSF8 (Q8WSF8_APLCA) [(1R,5S)-8-PHENETHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE V37 0.45 SHOW
17 2Y56 Soluble acetylcholine receptor Aplysia californica Q8WSF8 (Q8WSF8_APLCA) [(1S,5R)-8-[(2R)-2-HYDROXY-2-PHENYL-ETHYL]-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE V11 0.44 SHOW
18 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 0.44 SHOW
19 5FJV Neuronal acetylcholine receptor subunit alpha-2 Homo sapiens Q15822 (ACHA2_HUMAN) EPIBATIDINE EPJ 0.44 SHOW
20 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 0.43 SHOW
21 6QQO Soluble acetylcholine receptor Aplysia californica Q8WSF8 (Q8WSF8_APLCA) 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide JC8 0.43 SHOW
22 6QKK Soluble acetylcholine receptor Aplysia californica Q8WSF8 (Q8WSF8_APLCA) 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide H92 0.43 SHOW
23 2YMD Soluble acetylcholine receptor Aplysia californica Q8WSF8 (Q8WSF8_APLCA) SEROTONIN SRO 0.43 SHOW
24 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 0.43 SHOW
25 6NW4 Indole-3-glycerol phosphate synthase Saccharolobus solfataricus Q06121 (TRPC_SACS2) 6-NITROBENZOTRIAZOLE 6NT 0.42 SHOW
26 6NP0 5-hydroxytryptamine receptor 3A Mus musculus P23979 (5HT3A_MOUSE) 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide CWB 0.42 SHOW
27 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 0.42 SHOW
28 5PMO Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.42 SHOW
29 3WTO Acetylcholine-binding protein Lymnaea stagnalis P58154 (ACHP_LYMST) (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine N2Y 0.42 SHOW
30 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 0.42 SHOW
31 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 0.42 SHOW
32 5PMP Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.42 SHOW
33 3WTN Acetylcholine-binding protein Lymnaea stagnalis P58154 (ACHP_LYMST) (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine N2Y 0.41 SHOW
34 5PMH Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
35 5PMV Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
36 5PMF Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
37 5PMW Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
38 5PMX Lysine-specific demethylase 4D Homo sapiens Q6B0I6 (KDM4D_HUMAN) N-OXALYLGLYCINE OGA 0.41 SHOW
39 2ZJU Acetylcholine-binding protein Lymnaea stagnalis P58154 (ACHP_LYMST) (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine IM4 0.41 SHOW
40 3ZDH Acetylcholine-binding protein Lymnaea stagnalis P58154 (ACHP_LYMST) (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine XRS 0.41 SHOW
41 6Y1Z 5-hydroxytryptamine receptor 3A Mus musculus P23979 (5HT3A_MOUSE) (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one O7B 0.41 SHOW
42 3R9F MccE protein Escherichia coli Q47510 (Q47510_ECOLX) O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE GSU 0.41 SHOW
43 6QVO 7,8-dihydro-8-oxoguanine triphosphatase Homo sapiens P36639 (8ODP_HUMAN) N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE 6MA 0.41 SHOW
44 1NC4 Monoclonal Antibody 2D12.5 Fab Mus musculus - (S)-2-(4-NITROBENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETATE DOF 0.41 SHOW
45 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