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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02183912

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
1MRN-METHYLANILINEX2OTZ0.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.71
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.73
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.77
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.74
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.73
NIT4-NITROANILINEC,D1RMH0.8
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.8
NIT4-NITROANILINEB1VBS0.8
NIT4-NITROANILINEC1V9T0.8
NIT4-NITROANILINEC,D1VBT0.8
NIT4-NITROANILINEB1LOP0.8
NIT4-NITROANILINEC,D1ZKF0.8
NIT4-NITROANILINEB1PIP0.8
3NT3-NITROTOLUENEA,B2BMR0.7
3NT3-NITROTOLUENEA,B2HMO0.7
NYLN-ALLYL-ANILINEA1OVK0.73
264(phenylamino)acetonitrileA2RBN0.73
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.75
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
BSU1,3-DIPHENYLUREAA3E850.74
BSU1,3-DIPHENYLUREAA2ZJF0.74
1AN2-FLUOROANILINEA1LGW0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.78
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.81
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.81
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.75
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.77
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.71
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.7
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.71
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.79
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.72
HFTHYDROXYFLUTAMIDEA2AX60.8
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