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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010474

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.81
NBENITROSOBENZENEA2LH70.81
NBENITROSOBENZENEA2NSS0.81
ANLANILINEA2OV40.72
ANLANILINEA1AEE0.72
ANLANILINEA1PPA0.72
ANLANILINEA1HJ90.72
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
NBZNITROBENZENEA,B2BMQ0.88
NBZNITROBENZENEA,B3BGU0.88
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
NINDINITROPHENYLENEA1RSM0.94
NINDINITROPHENYLENEA1GVY0.94
NINDINITROPHENYLENEA1GW10.94
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.71
3NT3-NITROTOLUENEA,B2BMR0.79
3NT3-NITROTOLUENEA,B2HMO0.79
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.88
TNL2,4,6-TRINITROTOLUENEA1GVR0.84
NIT4-NITROANILINEC,D1RMH0.85
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.85
NIT4-NITROANILINEB1VBS0.85
NIT4-NITROANILINEC1V9T0.85
NIT4-NITROANILINEC,D1VBT0.85
NIT4-NITROANILINEB1LOP0.85
NIT4-NITROANILINEC,D1ZKF0.85
NIT4-NITROANILINEB1PIP0.85