25 complex(es)
PDB ID
Protein Name
Organism
Uniprot ID/ACC
Ligand Name
HET ID
Structure
PS-Score (Pocket Similarity)
Card
1 3UON Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate QNB 0.96 SHOW
2 5YC8 Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) N-methyl scopolamine 3C0 0.92 SHOW
3 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 0.92 SHOW
4 5ZK8 Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) N-methyl scopolamine 3C0 0.9 SHOW
5 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 0.89 SHOW
6 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 0.89 SHOW
7 4U15 Muscarinic acetylcholine receptor M3 Homo sapiens P20309 (ACM3_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
8 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 0.87 SHOW
9 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 0.86 SHOW
10 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 0.85 SHOW
11 5ZKC Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) N-methyl scopolamine 3C0 0.82 SHOW
12 4U16 Muscarinic acetylcholine receptor M3 Homo sapiens P20309 (ACM3_HUMAN) N-methyl scopolamine 3C0 0.8 SHOW
13 3RZE Histamine H1 receptor Homo sapiens P35367 (HRH1_HUMAN) (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine 5EH 0.72 SHOW
14 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 0.7 SHOW
15 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 0.67 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 0.57 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 5DWZ 2-heptyl-4(1H)-quinolone synthase subunit PqsC Pseudomonas aeruginosa Q9I4X2 (PQSB_PSEAE) 3[N-MORPHOLINO]PROPANE SULFONIC ACID MPO 0.48 SHOW
19 6DVY Transient receptor potential cation channel subfamily V member 3 Mus musculus Q8K424 (TRPV3_MOUSE) 2-aminoethyl diphenylborinate FZ4 0.44 SHOW
20 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
21 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
22 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
23 4R7B Choline kinase Streptococcus pneumoniae Q8DPI4 (Q8DPI4_STRR6) CHOLINE ION CHT 0.41 SHOW
24 6KPC Cannabinoid receptor 1 Homo sapiens P21554 (CNR1_HUMAN) (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol 8D0 0.41 SHOW
25 6UQV ChoE Pseudomonas aeruginosa Q9HUP2 (Q9HUP2_PSEAE) 2-(N-MORPHOLINO)-ETHANESULFONIC ACID MES 0.41 SHOW