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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009274

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1AN2-FLUOROANILINEA1LGW0.7
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
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
NBENITROSOBENZENEA1LH70.82
NBENITROSOBENZENEA2LH70.82
NBENITROSOBENZENEA2NSS0.82
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.86
NBZNITROBENZENEA,B2BMQ0.88
NBZNITROBENZENEA,B3BGU0.88
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.77
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
3NT3-NITROTOLUENEA,B2BMR0.79
3NT3-NITROTOLUENEA,B2HMO0.79
NINDINITROPHENYLENEA1RSM0.83
NINDINITROPHENYLENEA1GVY0.83
NINDINITROPHENYLENEA1GW10.83