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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
ExploreDB159820RIOrladeyoOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0RJ3-(formylamino)-L-alanineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0RK2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0RM(2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
ExploreDB093240RNSULBACTAMOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0RO4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidineOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
ExploreDB062810RPethyl (2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H )-carboxylateOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesHydroquinolines
Exploren/a0RQ[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphateOrganic compoundsNucleosides, nucleotides, and analoguesPurine nucleotidesPurine ribonucleotides
Exploren/a0RR3-{(5Z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acidOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesn/a
Exploren/a0RS{5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanoneOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesBipyridines and oligopyridines
Exploren/a0RT4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidineOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a0RU8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-oneOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0RV(2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro le-5-carboxylic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0RW3-methyl-2H-indazoleOrganic compoundsOrganoheterocyclic compoundsBenzopyrazolesIndazoles
Exploren/a0RX2-(morpholin-4-yl)-N-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0RY(2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0RZ(2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0S04-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonamides
Exploren/a0S1N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound formOrganic compoundsBenzenoidsBenzene and substituted derivativesToluenes
Exploren/a0S25-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsThiophenesThiophene carboxylic acids and derivatives
Exploren/a0S35-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsThiophenesThiophene carboxylic acids and derivatives
Exploren/a0S4N-hydroxy-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamideOrganic compoundsBenzenoidsBenzene and substituted derivativesDiphenylmethanes
Exploren/a0S5N-benzoyl-1-[(2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-L-prolinamideOrganic compoundsOrganic acids and derivativesPeptidomimeticsHybrid peptides
Exploren/a0S6methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetateOrganic compoundsOrganoheterocyclic compoundsThienodiazepinesn/a
Exploren/a0S75-bromo-N~4~-(3-methyl-1H-pyrazol-5-yl)-N~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamineOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0S85-bromo-N~4~-[3-(3-methoxypropyl)-1H-pyrazol-5-yl]-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamineOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0S95-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamineOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0SAundecyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranosideOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
Exploren/a0SBN-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amineOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a0SC2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-olOrganic compoundsOrganoheterocyclic compoundsPyridopyrimidinesn/a
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