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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02646861

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.74
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.73
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.71
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
TNL2,4,6-TRINITROTOLUENEA1GVR0.79
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.72
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
D3F2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-
1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE
A2GZ70.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.79
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.76
SANSULFANILAMIDEA1AJ00.71
3NT3-NITROTOLUENEA,B2BMR0.83
3NT3-NITROTOLUENEA,B2HMO0.83
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.76
NBZNITROBENZENEA,B2BMQ0.73
NBZNITROBENZENEA,B3BGU0.73
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.7