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821 Ligand(s)
Ligand Name
HET ID
Structure
#Protein-Ligand Complex(es)
1 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole 00G 1
2 1-(5-ethoxypyridin-3-yl)-1,4-diazepane 09P 1
3 1-(5-phenylpyridin-3-yl)-1,4-diazepane 09Q 1
4 1-(6-bromopyridin-3-yl)-1,4-diazepane 09R 1
5 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
6 dTDP-4-amino-4,6-dideoxyglucose 0FX 2
7 (3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol 0H7 1
8 (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 6
9 amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium 0HZ 3
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 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide 0LI 2
13 (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one 0MO 2
14 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one 0QA 1
15 (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one 0TI 1
16 3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine 0VC 1
17 (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide 0WM 1
18 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
19 CARNITINE 152 1
20 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
21 1-METHYLCYTOSINE 1MC 1
22 4-{bis[4-(dimethylamino)phenyl]methyl}phenol 1OM 1
23 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE 1PC 1
24 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine 1VZ 1
25 (2S)-1-phenylpropan-2-amine 1WE 1
26 4-[(2S)-2-(methylamino)propyl]phenol 1WF 1
27 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one 1WT 1
28 (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
29 (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE 230 1
30 (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE 237 1
31 2,3-DIHYDROXYBENZALDEHYDE 23A 1
32 dodecane-1,12-diamine 297 1
33 (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine 29E 1
34 ADENOSINE-2'-MONOPHOSPHATE 2AM 1
35 (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid 2BV 1
36 baclofen 2C0 1
37 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol 2LJ 1
38 N3, N4-DIMETHYLARGININE 2MR 11
39 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine 2OD 2
40 N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE 2PM 1
41 N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide 2PX 1
42 (dimethyl-lambda~4~-sulfanyl)acetic acid 313 1
43 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine 36X 2
44 6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM 39A 1
45 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate 3AM 2
46 2-(cyclohexylamino)benzoic acid 3B4 1
47 N-methyl scopolamine 3C0 4
48 (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol 3D1 1
49 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide 3G4 1
50 5-methylphenazin-1(5H)-one 3J8 1