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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00056197

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.84
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
NIT4-NITROANILINEC,D1RMH0.87
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.87
NIT4-NITROANILINEB1VBS0.87
NIT4-NITROANILINEC1V9T0.87
NIT4-NITROANILINEC,D1VBT0.87
NIT4-NITROANILINEB1LOP0.87
NIT4-NITROANILINEC,D1ZKF0.87
NIT4-NITROANILINEB1PIP0.87
3NT3-NITROTOLUENEA,B2BMR0.77
3NT3-NITROTOLUENEA,B2HMO0.77
NBENITROSOBENZENEA1LH70.8
NBENITROSOBENZENEA2LH70.8
NBENITROSOBENZENEA2NSS0.8
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.78
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.8
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.74
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
1AN2-FLUOROANILINEA1LGW0.79
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
5AN3,5-DIFLUOROANILINEA1LGX0.81
TNL2,4,6-TRINITROTOLUENEA1GVR0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
NBZNITROBENZENEA,B2BMQ0.86
NBZNITROBENZENEA,B3BGU0.86
NINDINITROPHENYLENEA1RSM0.83
NINDINITROPHENYLENEA1GVY0.83
NINDINITROPHENYLENEA1GW10.83
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71