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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02466954

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
NBZNITROBENZENEA,B2BMQ0.81
NBZNITROBENZENEA,B3BGU0.81
NIT4-NITROANILINEC,D1RMH0.8
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.8
NIT4-NITROANILINEB1VBS0.8
NIT4-NITROANILINEC1V9T0.8
NIT4-NITROANILINEC,D1VBT0.8
NIT4-NITROANILINEB1LOP0.8
NIT4-NITROANILINEC,D1ZKF0.8
NIT4-NITROANILINEB1PIP0.8
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
NINDINITROPHENYLENEA1RSM0.8
NINDINITROPHENYLENEA1GVY0.8
NINDINITROPHENYLENEA1GW10.8
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.81