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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01602511

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
SANSULFANILAMIDEA1AJ00.78
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.85
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
4NS4-nitrophenyl sulfateX2ZYU0.71
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.78
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.85
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
NIT4-NITROANILINEC,D1RMH0.78
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.78
NIT4-NITROANILINEB1VBS0.78
NIT4-NITROANILINEC1V9T0.78
NIT4-NITROANILINEC,D1VBT0.78
NIT4-NITROANILINEB1LOP0.78
NIT4-NITROANILINEC,D1ZKF0.78
NIT4-NITROANILINEB1PIP0.78
NBENITROSOBENZENEA1LH70.77
NBENITROSOBENZENEA2LH70.77
NBENITROSOBENZENEA2NSS0.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.73
NINDINITROPHENYLENEA1RSM0.8
NINDINITROPHENYLENEA1GVY0.8
NINDINITROPHENYLENEA1GW10.8
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.79
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.72