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PDB Ligand Accession

Browse small molecules by PDB ligand accession and use Explore to open matching proteins.

37373 molecules found
DrugDomain DataDrugBank IDPDB LigandLigand NameKingdomSuperclassClassSubclass
Exploren/a10NN-(3-{[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-N-methylmethanesulfonamideOrganic compoundsOrganoheterocyclic compoundsPyrrolesSubstituted pyrroles
Exploren/a10O3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrileOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzonitriles
Exploren/a10PD-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a10Q2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrileOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzonitriles
Exploren/a10R1-(2-[(R)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaboraneOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyols
Exploren/a10S1-(2-[(S)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaboraneOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyols
Exploren/a10T5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acidOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
ExploreDB0684510U(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a10V3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrileOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzonitriles
Exploren/a10W2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrileOrganic compoundsOrganoheterocyclic compoundsPyrrolidinesPhenylpyrrolidines
Exploren/a10X(9Z)-11-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acidOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugates
Exploren/a10Y(9Z)-11-{(2R,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acidOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugates
Exploren/a10ZN-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amineOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
Exploren/a1103-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTEROrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
ExploreDB02367111(1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOXAMIDO-(4S)-METHANESULFONYLAMINO-PYRROLIDINEOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a112THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTEROrganic compoundsNucleosides, nucleotides, and analoguesPurine nucleotidesPurine ribonucleotides
ExploreDB025931137,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACIDOrganic compoundsOrganoheterocyclic compoundsBenzopyrans1-benzopyrans
Exploren/a114(3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acidOrganic compoundsOrganic acids and derivativesHydroxy acids and derivativesMedium-chain hydroxy acids and derivatives
ExploreDB01095115(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acidOrganic compoundsOrganoheterocyclic compoundsPyrrolesSubstituted pyrroles
ExploreDB004391167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-DIHYDROXY-HEPTANOIC ACIDOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
ExploreDB010761177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACIDOrganic compoundsOrganoheterocyclic compoundsPyrrolesSubstituted pyrroles
Exploren/a118TETRAPHENYLANTIMONIUM IONOrganic compoundsBenzenoidsBenzene and substituted derivativesn/a
ExploreDB1685711AUNDECANOIC ACIDOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugates
Exploren/a11B(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDEOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzyloxycarbonyls
Exploren/a11C(2R)-2-aminohexanedioic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a11D11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acidOrganic compoundsBenzenoidsNaphthalenesNaphthalene sulfonic acids and derivatives
Exploren/a11EN-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
ExploreDB0684711F5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamineOrganic compoundsBenzenoidsBenzene and substituted derivativesBiphenyls and derivatives
Exploren/a11G(7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-oneOrganic compoundsOrganoheterocyclic compoundsPteridines and derivativesn/a
Exploren/a11H9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acidOrganic compoundsBenzenoidsAnthracenesAnthraquinones
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