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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02288448

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.7
TNFPICRIC ACIDA1GVS0.79
TNFPICRIC ACIDX1VYP0.79
TNFPICRIC ACIDA1VYR0.79
TNFPICRIC ACIDX1VYS0.79
DNF2,4-DINITROPHENOLA,B2B160.8
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.8
DNF2,4-DINITROPHENOLA1GVO0.8
DNF2,4-DINITROPHENOLA,B2B150.8
DNF2,4-DINITROPHENOLA,B2B140.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.71
DNC3,5-DINITROCATECHOLA3BWY0.81
DNC3,5-DINITROCATECHOLA3BWM0.81
DNC3,5-DINITROCATECHOLA1VID0.81
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.78
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.78
NCR2-NITRO-P-CRESOLA,B1AHV0.82
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.73
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.82
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.83
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.73
2AC2-AMINO-P-CRESOLH,I1A2C0.73
2AC2-AMINO-P-CRESOLA1L4M0.73
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.75
4NC4-NITROCATECHOLA1NO30.81
4NC4-NITROCATECHOLB2BUU0.81
4NC4-NITROCATECHOLB2BUZ0.81
4NC4-NITROCATECHOLB1EOC0.81
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.73
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.73
4NP4-NITROPHENYL PHOSPHATEA2I6P0.73
4NS4-nitrophenyl sulfateX2ZYU0.74
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.76
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.7
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.76
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.73
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
NPOP-NITROPHENOLA,B1Z440.79
NPOP-NITROPHENOLX2ZYW0.79
NPOP-NITROPHENOLH,L1YEK0.79
NPOP-NITROPHENOLA,C,E,G43CA0.79
NPOP-NITROPHENOLA1LS60.79
NPOP-NITROPHENOLX2ZVP0.79
NPOP-NITROPHENOLA,B2I100.79
NPOP-NITROPHENOLA1VAH0.79
NPOP-NITROPHENOLA,B3ETT0.79
NPOP-NITROPHENOLA,B2D200.79
NPOP-NITROPHENOLX2ZYV0.79
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.8