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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/a0QK7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amineOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
Exploren/a0QNN-(trifluoroacetyl)-L-valyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0QQN-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamiden/an/an/an/a
Exploren/a0QRN-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonamides
Exploren/a0QSN~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamideOrganic compoundsOrganic acids and derivativesPeptidomimeticsHybrid peptides
Exploren/a0QV(4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethioneOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndoles
Exploren/a0QW(2-hydroxyphenyl)(pyrrolidin-1-yl)methanethioneOrganic compoundsBenzenoidsPhenols1-hydroxy-4-unsubstituted benzenoids
Exploren/a0QX2-(1H-indol-3-ylmethyl)-1H-imidazo[4,5-c]pyridineOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndoles
Exploren/a0QYN-[2-(1H-indol-3-ylmethyl)-1H-benzimidazol-5-yl]-L-prolinamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0R02-hydroxybenzonitrileOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzonitriles
Exploren/a0R11,2-benzisoxazoleOrganic compoundsOrganoheterocyclic compoundsBenzisoxazolesn/a
Exploren/a0R2[(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acidOrganic compoundsPhenylpropanoids and polyketidesStilbenesn/a
Exploren/a0R3{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acidOrganic compoundsPhenylpropanoids and polyketidesStilbenesn/a
Exploren/a0R4N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0R52'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)Organic compoundsNucleosides, nucleotides, and analoguesPyrimidine nucleotidesPyrimidine deoxyribonucleotides
Exploren/a0R62'-deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate)Organic compoundsNucleosides, nucleotides, and analoguesPyrimidine nucleotidesPyrimidine deoxyribonucleotides
Exploren/a0R7[[(2S,5R)-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphateOrganic compoundsNucleosides, nucleotides, and analoguesPyrimidine nucleotidesPyrimidine deoxyribonucleotides
Exploren/a0R95-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesBipyridines and oligopyridines
Exploren/a0RA3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acidOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
Exploren/a0RB2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamideOrganic compoundsOrganoheterocyclic compoundsPteridines and derivativesPterins and derivatives
Exploren/a0RC5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidineOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
Exploren/a0RD4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0RE(2S)-hexane-1,2-diolOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty alcohols
ExploreDB117430RF(2S)-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-oneOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
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
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