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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00602527

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.73
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.79
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.78
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.78
264(phenylamino)acetonitrileA2RBN0.82
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.73
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,B,C1L2O0.72
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,C1KWO0.72
PL01-phenylguanidineA2O8W0.8
NYLN-ALLYL-ANILINEA1OVK0.83
IDMINDOLINEA,B3CEP0.76
IDMINDOLINEA1AEK0.76
BSU1,3-DIPHENYLUREAA3E850.88
BSU1,3-DIPHENYLUREAA2ZJF0.88
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
641(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-
5-OXOPYRROLIDINE-3-CARBOXAMIDE
A2H7M0.71
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.81
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.74
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.87
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.87
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.76
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.72
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.71
ZLDN-{[(5S)-3-(3-fluoro-4-morpholin-
4-ylphenyl)-2-oxo-1,3-oxazolidin-
5-yl]methyl}acetamide
0,1,2,4,9,A,
B,C,F,H,I,J,
K,L,M,N,P,Q,
R,S,T,X,Y,Z
3CPW0.72
ZLDN-{[(5S)-3-(3-fluoro-4-morpholin-
4-ylphenyl)-2-oxo-1,3-oxazolidin-
5-yl]methyl}acetamide
4,M,X,Y,Z3DLL0.72
1MRN-METHYLANILINEX2OTZ0.79
665(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-
5-OXOPYRROLIDINE-3-CARBOXAMIDE
A2H7L0.73
URSN-PHENYLTHIOUREAA,B1BUG0.8
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71