23 complex(es)
PDB ID
Protein Name
Organism
Uniprot ID/ACC
Ligand Name
HET ID
Structure
PS-Score (Pocket Similarity)
Card
1 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 0.5 SHOW
2 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 0.49 SHOW
3 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 0.49 SHOW
4 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 0.48 SHOW
5 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 0.48 SHOW
6 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 0.45 SHOW
7 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 0.45 SHOW
8 5L8Y Phosphodiesterase Trypanosoma brucei Q8WQX9 (Q8WQX9_9TRYP) 2-[(4-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-N-(2-hydroxyethyl)acetamide CVA 0.45 SHOW
9 5ZKC Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) N-methyl scopolamine 3C0 0.44 SHOW
10 4NYI GTPase Hras Homo sapiens P01112 (RASH_HUMAN) N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide 2PX 0.44 SHOW
11 5ZK3 Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate QNB 0.44 SHOW
12 5IRX Transient receptor potential cation channel subfamily V member 1 Rattus norvegicus O35433 (TRPV1_RAT) (4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium 6O8 0.43 SHOW
13 6BVK GTPase Hras Homo sapiens P01112 (RASH_HUMAN) N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-L-tryptophanamide EAV 0.43 SHOW
14 6CF7 Hemagglutinin Influenza A virus A7Y8I1 (A7Y8I1_9INFA) N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide EZ7 0.42 SHOW
15 3LEE Squalene synthase Homo sapiens P37268 (FDFT_HUMAN) (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid B65 0.42 SHOW
16 6W2X Gamma-aminobutyric acid type B receptor subunit 1 Homo sapiens Q9UBS5 (GABR1_HUMAN) (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate L9Q 0.42 SHOW
17 6PW5 TRP-like ion channel Chlamydomonas reinhardtii Q0Z852 (Q0Z852_CHLRE) 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE PCW 0.42 SHOW
18 5OLB Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 Mus musculus Q9R1E6 (ENPP2_MOUSE) (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate 6ZO 0.42 SHOW
19 3I8V cAMP-specific 3',5'-cyclic phosphodiesterase 4A Homo sapiens P27815 (PDE4A_HUMAN) (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one 0MO 0.42 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 3K4S cAMP-specific 3',5'-cyclic phosphodiesterase 4D Homo sapiens Q08499 (PDE4D_HUMAN) (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one 0MO 0.41 SHOW
22 6KX5 Cryptochrome-1 Mus musculus P97784 (CRY1_MOUSE) 2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide DYR 0.41 SHOW
23 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 0.41 SHOW