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821 Ligand(s)
Ligand Name
HET ID
Structure
#Protein-Ligand Complex(es)
1 5,6,7,8-TETRAHYDROBIOPTERIN H4B 1
2 4-Cl-Bn7GpppG mRNA 5' cap analog OYW 1
3 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole 00G 1
4 1-(5-ethoxypyridin-3-yl)-1,4-diazepane 09P 1
5 1-(5-phenylpyridin-3-yl)-1,4-diazepane 09Q 1
6 1-(6-bromopyridin-3-yl)-1,4-diazepane 09R 1
7 4-[(2S)-2-(methylamino)propyl]phenol 1WF 1
8 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid 0CA 1
9 (3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol 0H7 1
10 (3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane 0J0 1
11 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine 0KX 1
12 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one 0QA 1
13 (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one 0TI 1
14 N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE 2PM 1
15 3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine 0VC 1
16 (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide 0WM 1
17 2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name) 0YQ 1
18 CARNITINE 152 1
19 N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide 15S 1
20 1-METHYLCYTOSINE 1MC 1
21 4-{bis[4-(dimethylamino)phenyl]methyl}phenol 1OM 1
22 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE 1PC 1
23 (2S)-1-phenylpropan-2-amine 1WE 1
24 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one 1WT 1
25 (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid 21G 1
26 (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE 230 1
27 (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE 237 1
28 2,3-DIHYDROXYBENZALDEHYDE 23A 1
29 (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine 29E 1
30 ADENOSINE-2'-MONOPHOSPHATE 2AM 1
31 (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid 2BV 1
32 baclofen 2C0 1
33 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol 2LJ 1
34 (dimethyl-lambda~4~-sulfanyl)acetic acid 313 1
35 6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM 39A 1
36 (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol 3D1 1
37 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide 3G4 1
38 5-methylphenazin-1(5H)-one 3J8 1
39 (2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol 3L1 1
40 6-AMINO-3-METHYLPURINE 3MA 1
41 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide 3UJ 1
42 4-(diethylamino)benzaldehyde 3W9 1
43 2-(3,4-dichlorophenyl)ethanamine 42J 1
44 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE 439 1
45 4-carboxy-1,1-dimethylpiperidin-1-ium 449 1
46 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide 44I 1
47 (3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} 455 1
48 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide 48U 1
49 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 49D 1
50 (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID 4CS 1