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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02270396

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NINDINITROPHENYLENEA1RSM0.7
NINDINITROPHENYLENEA1GVY0.7
NINDINITROPHENYLENEA1GW10.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.76
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.78
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.71
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.71
D3F2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-
1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE
A2GZ70.78
3NT3-NITROTOLUENEA,B2BMR0.79
3NT3-NITROTOLUENEA,B2HMO0.79
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.74
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.8
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71