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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
ExploreDB0101508DSulfamethoxazoleOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonamides
Exploren/a08E1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolecarboxylic acids and derivatives
Exploren/a08F1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamideOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolecarboxylic acids and derivatives
Exploren/a08G1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urean/an/an/an/a
ExploreDB0040408H8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepineOrganic compoundsOrganoheterocyclic compoundsBenzodiazepines1,4-benzodiazepines
Exploren/a08ITrans-Geranyl BACTERIOPHEOPHYTIN An/an/an/an/a
ExploreDB0068308J8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepineOrganic compoundsOrganoheterocyclic compoundsBenzodiazepines1,4-benzodiazepines
Exploren/a08K8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepineOrganic compoundsOrganohalogen compoundsAryl halidesAryl chlorides
ExploreDB0617408NnoscapineOrganic compoundsAlkaloids and derivativesPhthalide isoquinolinesn/a
Exploren/a08O(Z)-docos-13-enoic acidOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugates
Exploren/a08PN-(carboxycarbonyl)-D-cysteineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a08R6-{[(3S,4S)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amineOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylmethylamines
Exploren/a08S3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDEOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonamides
Exploren/a08T[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)berylliumOrganic compoundsNucleosides, nucleotides, and analoguesPurine nucleotidesPurine ribonucleotides
Exploren/a08U2-bromanyl-N-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamiden/an/an/an/a
Exploren/a08VglaucineOrganic compoundsAlkaloids and derivativesAporphinesn/a
Exploren/a08WN-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1H-imidazole-4-carboxamideOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
ExploreDB0120008YbromoergocryptineOrganic compoundsAlkaloids and derivativesErgoline and derivativesLysergic acids and derivatives
Exploren/a08Z4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamideOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridinecarboxylic acids and derivatives
Exploren/a090N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDEOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a091(3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-oneOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a092methyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
ExploreDB06836093N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDEOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonamides
Exploren/a0941-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONEOrganic compoundsOrganosulfur compoundsThioethersAryl thioethers
Exploren/a095tetrahydro-2H-pyran-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a096(2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-oneOrganic compoundsBenzenoidsPhenolsMethoxyphenols
ExploreDB00786097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamideOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyols
Exploren/a098(3R)-N~2~-(cyclopropylmethyl)-N~1~-hydroxy-3-(3-hydroxybenzyl)-N~4~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-aspartamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
ExploreDB06837099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamideOrganic compoundsBenzenoidsIndanesn/a
Exploren/a09Abenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
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