18 complex(es)
PDB ID
Protein Name
Organism
Uniprot ID/ACC
Ligand Name
HET ID
Structure
PS-Score (Pocket Similarity)
Card
1 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 0.97 SHOW
2 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 0.96 SHOW
3 5T1A C-C chemokine receptor type 2 Homo sapiens P41597 (CCR2_HUMAN) (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one 73R 0.51 SHOW
4 5NMM Serine/threonine-protein kinase PLK1 Homo sapiens P53350 (PLK1_HUMAN) Alpha-Bromo-3-Iodotoluene 8Z5 0.49 SHOW
5 6SQY dCTP pyrophosphatase 1 Mus musculus Q9QY93 (DCTP1_MOUSE) 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE DCM 0.45 SHOW
6 6SQW dCTP pyrophosphatase 1 Mus musculus Q9QY93 (DCTP1_MOUSE) 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE 5CM 0.44 SHOW
7 3RZE Histamine H1 receptor Homo sapiens P35367 (HRH1_HUMAN) (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine 5EH 0.43 SHOW
8 5ZK8 Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) N-methyl scopolamine 3C0 0.43 SHOW
9 4U16 Muscarinic acetylcholine receptor M3 Homo sapiens P20309 (ACM3_HUMAN) N-methyl scopolamine 3C0 0.42 SHOW
10 3UON Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate QNB 0.42 SHOW
11 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 0.42 SHOW
12 5ZK3 Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate QNB 0.42 SHOW
13 5YC8 Muscarinic acetylcholine receptor M2 Homo sapiens P08172 (ACM2_HUMAN) N-methyl scopolamine 3C0 0.41 SHOW
14 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 0.41 SHOW
15 6VXJ Broad substrate specificity ATP-binding cassette transporter ABCG2 Homo sapiens Q9UNQ0 (ABCG2_HUMAN) 7-ethyl-10-hydroxycamptothecin RS4 0.41 SHOW
16 6DVY Transient receptor potential cation channel subfamily V member 3 Mus musculus Q8K424 (TRPV3_MOUSE) 2-aminoethyl diphenylborinate FZ4 0.41 SHOW
17 5V3X Polyketide synthase Pks13 Mycobacterium tuberculosis I6X8D2 (I6X8D2_MYCTU) ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate I28 0.41 SHOW
18 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 0.41 SHOW