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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02995109

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNSA,B,L2G2R0.71
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.75
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
CRIA,B1VKG0.7
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
3AB3-aminobenzamideA,B,C,D3GOY0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
TSNTRICHOSTATIN AA,B1T640.77
TSNTRICHOSTATIN AA,B1C3R0.77
TSNTRICHOSTATIN AA,B,C3F0R0.77
TSNTRICHOSTATIN AA,B,C3C100.77
PPNPARA-NITROPHENYLALANINEI1YTJ0.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.83
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.75
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71