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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02691642

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.73
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.7
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.75
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.71
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.73
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.77
1MRN-METHYLANILINEX2OTZ0.72
NINDINITROPHENYLENEA1RSM0.75
NINDINITROPHENYLENEA1GVY0.75
NINDINITROPHENYLENEA1GW10.75
GNR2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-
2-YL)-N-HYDROXYACETAMIDE
A,B1S170.7
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.76
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.7
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.74
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.76
BSU1,3-DIPHENYLUREAA3E850.73
BSU1,3-DIPHENYLUREAA2ZJF0.73
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.73
HFTHYDROXYFLUTAMIDEA2AX60.79
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.8
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.77
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.7
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.7
NBZNITROBENZENEA,B2BMQ0.72
NBZNITROBENZENEA,B3BGU0.72
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.72
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.72
NYLN-ALLYL-ANILINEA1OVK0.72
NIT4-NITROANILINEC,D1RMH0.75
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.75
NIT4-NITROANILINEB1VBS0.75
NIT4-NITROANILINEC1V9T0.75
NIT4-NITROANILINEC,D1VBT0.75
NIT4-NITROANILINEB1LOP0.75
NIT4-NITROANILINEC,D1ZKF0.75
NIT4-NITROANILINEB1PIP0.75
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.78
264(phenylamino)acetonitrileA2RBN0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.8
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.8
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.81
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.81
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.81
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.81