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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02416533

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.7
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.7
PNZP-NITRO-BENZYLAMINEA,B2C700.7
I7B4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDEA2POV0.72
NBZNITROBENZENEA,B2BMQ0.8
NBZNITROBENZENEA,B3BGU0.8
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.82
SANSULFANILAMIDEA1AJ00.81
OSPSULTHIAMEA2Q1Q0.71
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.83
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.75
NIT4-NITROANILINEC,D1RMH0.78
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.78
NIT4-NITROANILINEB1VBS0.78
NIT4-NITROANILINEC1V9T0.78
NIT4-NITROANILINEC,D1VBT0.78
NIT4-NITROANILINEB1LOP0.78
NIT4-NITROANILINEC,D1ZKF0.78
NIT4-NITROANILINEB1PIP0.78
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.8
NINDINITROPHENYLENEA1RSM0.8
NINDINITROPHENYLENEA1GVY0.8
NINDINITROPHENYLENEA1GW10.8
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.8