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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02768795

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.76
ANLANILINEA2OV40.7
ANLANILINEA1AEE0.7
ANLANILINEA1PPA0.7
ANLANILINEA1HJ90.7
NBENITROSOBENZENEA1LH70.79
NBENITROSOBENZENEA2LH70.79
NBENITROSOBENZENEA2NSS0.79
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.95
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.75
3NT3-NITROTOLUENEA,B2BMR0.77
3NT3-NITROTOLUENEA,B2HMO0.77
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
NIT4-NITROANILINEC,D1RMH0.82
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.82
NIT4-NITROANILINEB1VBS0.82
NIT4-NITROANILINEC1V9T0.82
NIT4-NITROANILINEC,D1VBT0.82
NIT4-NITROANILINEB1LOP0.82
NIT4-NITROANILINEC,D1ZKF0.82
NIT4-NITROANILINEB1PIP0.82
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
PSGPARA-NITROPHENYL 1-THIO-BETA-D-
GLUCOPYRANOSIDE
A,B1E1F0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.83
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.71
SANSULFANILAMIDEA1AJ00.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
NBZNITROBENZENEA,B2BMQ0.85
NBZNITROBENZENEA,B3BGU0.85
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
NINDINITROPHENYLENEA1RSM0.82
NINDINITROPHENYLENEA1GVY0.82
NINDINITROPHENYLENEA1GW10.82