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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00567888

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPR0.76
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A,B2OPS0.76
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPP0.76
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPQ0.76
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSK0.73
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSJ0.73
NMQN-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1C0.71
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.73
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.7
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.73
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.72
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,B,C1L2O0.76
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,C1KWO0.76
SG13-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-
BENZENESULFONAMIDE
A1KWQ0.72
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.84
2T3(2R,3R)-4-ANILINO-2,3-DIHYDROXY-
4-OXOBUTANOIC ACID
A2P360.7
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.76
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.77