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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011466

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.8
4NS4-nitrophenyl sulfateX2ZYU0.71
NIT4-NITROANILINEC,D1RMH0.9
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.9
NIT4-NITROANILINEB1VBS0.9
NIT4-NITROANILINEC1V9T0.9
NIT4-NITROANILINEC,D1VBT0.9
NIT4-NITROANILINEB1LOP0.9
NIT4-NITROANILINEC,D1ZKF0.9
NIT4-NITROANILINEB1PIP0.9
3NT3-NITROTOLUENEA,B2BMR0.86
3NT3-NITROTOLUENEA,B2HMO0.86
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.83
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.79
NBZNITROBENZENEA,B2BMQ0.96
NBZNITROBENZENEA,B3BGU0.96
ANLANILINEA2OV40.79
ANLANILINEA1AEE0.79
ANLANILINEA1PPA0.79
ANLANILINEA1HJ90.79
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
5AN3,5-DIFLUOROANILINEA1LGX0.81
NBENITROSOBENZENEA1LH70.89
NBENITROSOBENZENEA2LH70.89
NBENITROSOBENZENEA2NSS0.89
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.94
1AN2-FLUOROANILINEA1LGW0.83
NPOP-NITROPHENOLA,B1Z440.71
NPOP-NITROPHENOLX2ZYW0.71
NPOP-NITROPHENOLH,L1YEK0.71
NPOP-NITROPHENOLA,C,E,G43CA0.71
NPOP-NITROPHENOLA1LS60.71
NPOP-NITROPHENOLX2ZVP0.71
NPOP-NITROPHENOLA,B2I100.71
NPOP-NITROPHENOLA1VAH0.71
NPOP-NITROPHENOLA,B3ETT0.71
NPOP-NITROPHENOLA,B2D200.71
NPOP-NITROPHENOLX2ZYV0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.82
NINDINITROPHENYLENEA1RSM0.9
NINDINITROPHENYLENEA1GVY0.9
NINDINITROPHENYLENEA1GW10.9
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.8
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.8
PNZP-NITRO-BENZYLAMINEA,B2C700.8