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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/a0GV(3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-oneOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesCholestane steroids
Exploren/a0GW5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-onen/an/an/an/a
Exploren/a0GX{(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanoneOrganic compoundsAlkaloids and derivativesTropane alkaloidsPhenyltropanes
Exploren/a0GY(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesTricarboxylic acids and derivatives
Exploren/a0GZ2-oxo-2H-pyran-4,6-dicarboxylic acidOrganic compoundsOrganoheterocyclic compoundsPyransPyranones and derivatives
Exploren/a0H0Carbohydrate component from a pentavalent N-acetylneuraminic acid conjugaten/an/an/an/a
Exploren/a0H15-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acidn/an/an/an/a
Exploren/a0H2[1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)rutheniumOrganic compoundsOrganoheterocyclic compoundsIsoindoles and derivativesIsoindolines
Exploren/a0H37-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1H)-oneOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesBipyridines and oligopyridines
Exploren/a0H4(2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamideOrganic compoundsOrganic nitrogen compoundsOrganonitrogen compoundsN-arylamides
Exploren/a0H56-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amineOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
ExploreDB117650H66-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridinecarboxylic acids and derivatives
Exploren/a0H7(3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanolOrganic compoundsOrganoheterocyclic compoundsQuinuclidinesn/a
Exploren/a0H8N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0H92-[(4-methoxybenzyl)amino]ethanesulfonic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylmethylamines
Exploren/a0HD1-(1H-indazol-5-yl)-3-(2-phenylethyl)ureaOrganic compoundsOrganoheterocyclic compoundsBenzopyrazolesIndazoles
Exploren/a0HGN-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0HHL-gamma-glutamyl-S-nonyl-L-cysteinylglycineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
ExploreDB014090HK(1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonaneOrganic compoundsOrganoheterocyclic compoundsOxazinanesMorpholines
Exploren/a0HL4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamideOrganic compoundsBenzenoidsNaphthalenesNaphthalene sulfonic acids and derivatives
Exploren/a0HM2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridiniumOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0HN1,3-benzodioxole-5-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsBenzodioxolesn/a
Exploren/a0HO2,1,3-benzothiadiazole-5-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsBenzothiadiazolesn/a
Exploren/a0HP~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2-(1~{H}-indol-6-yl)ethanamiden/an/an/an/a
Exploren/a0HTmethyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0HV3-[(4-nitronaphthalen-1-yl)amino]benzoic acidOrganic compoundsBenzenoidsNaphthalenesNitronaphthalenes
Exploren/a0HXpentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivatives
Exploren/a0HYmethyl (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoateOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0HZamino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminiumOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0I02-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]-N-(2-pyren-1-yloxyethyl)ethanamiden/an/an/an/a
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