23 complex(es)
PDB ID
Protein Name
Organism
Uniprot ID/ACC
Ligand Name
HET ID
Structure
PS-Score (Pocket Similarity)
Card
1 5DSG Muscarinic acetylcholine receptor M4 Homo sapiens P08173 (ACM4_HUMAN) (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane 0HK 0.95 SHOW
2 4U14 Muscarinic acetylcholine receptor M3 Rattus norvegicus P08483 (ACM3_RAT) (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane 0HK 0.94 SHOW
3 5ZHP Muscarinic acetylcholine receptor M3 Rattus norvegicus P08483 (ACM3_RAT) (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium 9EC 0.94 SHOW
4 4DAJ Muscarinic acetylcholine receptor M3 Rattus norvegicus P08483 (ACM3_RAT) (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane 0HK 0.92 SHOW
5 5YC8 Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) N-methyl scopolamine 3C0 0.92 SHOW
6 6OL9 Muscarinic acetylcholine receptor M5 Homo sapiens P08912 (ACM5_HUMAN) (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane 0HK 0.91 SHOW
7 5ZK8 Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) N-methyl scopolamine 3C0 0.91 SHOW
8 4U16 Muscarinic acetylcholine receptor M3 Homo sapiens P20309 (ACM3_HUMAN) N-methyl scopolamine 3C0 0.89 SHOW
9 5ZK3 Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate QNB 0.88 SHOW
10 5CXV Muscarinic acetylcholine receptor M1 Homo sapiens P11229 (ACM1_HUMAN) (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane 0HK 0.88 SHOW
11 3UON Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate QNB 0.85 SHOW
12 5ZKC Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) N-methyl scopolamine 3C0 0.79 SHOW
13 6OIK Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium IXO 0.68 SHOW
14 3RZE Histamine H1 receptor Homo sapiens P35367 (HRH1_HUMAN) (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine 5EH 0.68 SHOW
15 6OIJ Muscarinic acetylcholine receptor M1 Homo sapiens P11229 (ACM1_HUMAN) 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium IXO 0.61 SHOW
16 4MQS Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium IXO 0.58 SHOW
17 4MQT Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium IXO 0.57 SHOW
18 4I9J 1-phosphatidylinositol phosphodiesterase Staphylococcus aureus P45723 (PLC_STAAE) (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide XP5 0.46 SHOW
19 6AKY C-C chemokine receptor type 5 Homo sapiens P51681 (CCR5_HUMAN) 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide A4X 0.42 SHOW
20 4MBS C-C chemokine receptor type 5 Homo sapiens P51681 (CCR5_HUMAN) 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide MRV 0.42 SHOW
21 6AKX C-C chemokine receptor type 5 Homo sapiens P51681 (CCR5_HUMAN) N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide A4R 0.41 SHOW
22 6ICJ Peroxisome proliferator-activated receptor gamma Homo sapiens P37231 (PPARG_HUMAN) 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one A0L 0.41 SHOW
23 3JUN Phenazine biosynthesis protein A/B Burkholderia lata Q396C9 (Q396C9_BURL3) 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid AJD 0.41 SHOW