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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010641

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIT4-NITROANILINEC,D1RMH0.79
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.79
NIT4-NITROANILINEB1VBS0.79
NIT4-NITROANILINEC1V9T0.79
NIT4-NITROANILINEC,D1VBT0.79
NIT4-NITROANILINEB1LOP0.79
NIT4-NITROANILINEC,D1ZKF0.79
NIT4-NITROANILINEB1PIP0.79
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
SDA4-AMINO-3,5-DICHLOROBENZENESULFONAMIDEA1ZGE0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.82
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
NBENITROSOBENZENEA1LH70.78
NBENITROSOBENZENEA2LH70.78
NBENITROSOBENZENEA2NSS0.78
NBZNITROBENZENEA,B2BMQ0.84
NBZNITROBENZENEA,B3BGU0.84
NINDINITROPHENYLENEA1RSM0.79
NINDINITROPHENYLENEA1GVY0.79
NINDINITROPHENYLENEA1GW10.79
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.73
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76