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821 Ligand(s)
Ligand Name
HET ID
Structure
#Protein-Ligand Complex(es)
151 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one 0QA 1
152 (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one 0TI 1
153 N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE 2PM 1
154 3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine 0VC 1
155 (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide 0WM 1
156 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
157 CARNITINE 152 1
158 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
159 1-METHYLCYTOSINE 1MC 1
160 4-{bis[4-(dimethylamino)phenyl]methyl}phenol 1OM 1
161 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE 1PC 1
162 (2S)-1-phenylpropan-2-amine 1WE 1
163 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one 1WT 1
164 (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
165 (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE 230 1
166 (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE 237 1
167 2,3-DIHYDROXYBENZALDEHYDE 23A 1
168 (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine 29E 1
169 ADENOSINE-2'-MONOPHOSPHATE 2AM 1
170 (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid 2BV 1
171 baclofen 2C0 1
172 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol 2LJ 1
173 (dimethyl-lambda~4~-sulfanyl)acetic acid 313 1
174 6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM 39A 1
175 (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol 3D1 1
176 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide 3G4 1
177 5-methylphenazin-1(5H)-one 3J8 1
178 (2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol 3L1 1
179 6-AMINO-3-METHYLPURINE 3MA 1
180 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
181 4-(diethylamino)benzaldehyde 3W9 1
182 2-(3,4-dichlorophenyl)ethanamine 42J 1
183 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE 439 1
184 4-carboxy-1,1-dimethylpiperidin-1-ium 449 1
185 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
186 (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
187 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide 48U 1
188 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 49D 1
189 (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID 4CS 1
190 N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide 4K6 1
191 N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide 4O1 1
192 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide 4O5 1
193 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE 7HP 1
194 (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID 4PP 1
195 3-AMINOPYRIDINE-4-CARBOXYLIC ACID 4SV 1
196 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid 5V0 1
197 N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide 4V7 1
198 (2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane 4VU 1
199 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile 50P 1
200 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine 539 1