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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/a0A02-methyl-L-aspartic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0A1O-methyl-L-tyrosineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
ExploreDB068380A9methyl L-phenylalaninateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0AE(3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-oln/an/an/an/a
Exploren/a0AN(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-onen/an/an/an/a
ExploreDB140540ASasiatic acidOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTriterpenoids
Exploren/a0AW~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamiden/an/an/an/a
Exploren/a0AXN-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamiden/an/an/an/a
Exploren/a0B0(3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-onen/an/an/an/a
Exploren/a0B12-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-oneOrganic compoundsBenzenoidsBenzene and substituted derivativesBiphenyls and derivatives
Exploren/a0B3(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-oneOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0B4(6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-oneOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0B5~{N}-[3-[(4~{R},5~{R},6~{S})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0B6~{N}-[3-[(4~{S})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0B7~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamiden/an/an/an/a
Exploren/a0B82-pyren-1-yloxyethyl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoaten/an/an/an/a
Exploren/a0B9(2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamiden/an/an/an/a
Exploren/a0BA2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamiden/an/an/an/a
Exploren/a0BB4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acidOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesn/a
Exploren/a0BC~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0BD3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranosideOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acyl glycosides
Exploren/a0BEBERYLLIUMInorganic compoundsHomogeneous metal compoundsHomogeneous alkaline earth metal compoundsn/a
Exploren/a0BF8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-onen/an/an/an/a
Exploren/a0BGN-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamiden/an/an/an/a
Exploren/a0BHN-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamiden/an/an/an/a
Exploren/a0BI(4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-oneOrganic compoundsPhenylpropanoids and polyketidesMacrolactamsn/a
Exploren/a0BJmethyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoateOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzophenones
Exploren/a0BKN-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamiden/an/an/an/a
Exploren/a0BL(2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamiden/an/an/an/a
Exploren/a0BMN-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
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