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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018403

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.81
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
NBZNITROBENZENEA,B2BMQ0.82
NBZNITROBENZENEA,B3BGU0.82
NBENITROSOBENZENEA1LH70.76
NBENITROSOBENZENEA2LH70.76
NBENITROSOBENZENEA2NSS0.76
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.73
NIT4-NITROANILINEC,D1RMH0.88
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.88
NIT4-NITROANILINEB1VBS0.88
NIT4-NITROANILINEC1V9T0.88
NIT4-NITROANILINEC,D1VBT0.88
NIT4-NITROANILINEB1LOP0.88
NIT4-NITROANILINEC,D1ZKF0.88
NIT4-NITROANILINEB1PIP0.88
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.7
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
SDA4-AMINO-3,5-DICHLOROBENZENESULFONAMIDEA1ZGE0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
NINDINITROPHENYLENEA1RSM0.79
NINDINITROPHENYLENEA1GVY0.79
NINDINITROPHENYLENEA1GW10.79
1AN2-FLUOROANILINEA1LGW0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.8
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.71
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.79