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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00706046

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.77
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.77
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.7
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.77
NINDINITROPHENYLENEA1RSM0.72
NINDINITROPHENYLENEA1GVY0.72
NINDINITROPHENYLENEA1GW10.72
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.71
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.75
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.71
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.72
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.76
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.77
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.78
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.73
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.71
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.79
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.79
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.79
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.79
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.77
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.71
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.74
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.72
HFTHYDROXYFLUTAMIDEA2AX60.8