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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015399

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
PHZ1-PHENYLHYDRAZINEA2E2T0.78
PHZ1-PHENYLHYDRAZINED,H2AGL0.78
NIT4-NITROANILINEC,D1RMH0.83
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.83
NIT4-NITROANILINEB1VBS0.83
NIT4-NITROANILINEC1V9T0.83
NIT4-NITROANILINEC,D1VBT0.83
NIT4-NITROANILINEB1LOP0.83
NIT4-NITROANILINEC,D1ZKF0.83
NIT4-NITROANILINEB1PIP0.83
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.9
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.78
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
NINDINITROPHENYLENEA1RSM0.83
NINDINITROPHENYLENEA1GVY0.83
NINDINITROPHENYLENEA1GW10.83
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71