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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03292432

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
NBZNITROBENZENEA,B2BMQ0.83
NBZNITROBENZENEA,B3BGU0.83
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.72
1AN2-FLUOROANILINEA1LGW0.78
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.75
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.97
NBENITROSOBENZENEA1LH70.77
NBENITROSOBENZENEA2LH70.77
NBENITROSOBENZENEA2NSS0.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.75
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.71
PHZ1-PHENYLHYDRAZINEA2E2T0.83
PHZ1-PHENYLHYDRAZINED,H2AGL0.83
5AN3,5-DIFLUOROANILINEA1LGX0.76
NINDINITROPHENYLENEA1RSM0.8
NINDINITROPHENYLENEA1GVY0.8
NINDINITROPHENYLENEA1GW10.8
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.81
NIT4-NITROANILINEC,D1RMH0.89
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.89
NIT4-NITROANILINEB1VBS0.89
NIT4-NITROANILINEC1V9T0.89
NIT4-NITROANILINEC,D1VBT0.89
NIT4-NITROANILINEB1LOP0.89
NIT4-NITROANILINEC,D1ZKF0.89
NIT4-NITROANILINEB1PIP0.89