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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02391411

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.77
3NT3-NITROTOLUENEA,B2BMR0.77
3NT3-NITROTOLUENEA,B2HMO0.77
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
BHOBENZHYDROXAMIC ACIDA,B1GX20.72
BHOBENZHYDROXAMIC ACIDA1HSR0.72
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.72
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.72
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.72
BHOBENZHYDROXAMIC ACIDA3GCK0.72
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.72
CRIA,B1VKG0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.71
TSNTRICHOSTATIN AA,B1T640.73
TSNTRICHOSTATIN AA,B1C3R0.73
TSNTRICHOSTATIN AA,B,C3F0R0.73
TSNTRICHOSTATIN AA,B,C3C100.73
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
NID4-NITRO-INDEN-1-ONEA,B1DOH0.9
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
3AB3-aminobenzamideA,B,C,D3GOY0.8
BZQDIPHENYLMETHANONEA,B1GT50.7
BZQDIPHENYLMETHANONEA,B1DZP0.7
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.75