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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010399

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCR2-NITRO-P-CRESOLA,B1AHV0.94
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.71
DNC3,5-DINITROCATECHOLA3BWY0.82
DNC3,5-DINITROCATECHOLA3BWM0.82
DNC3,5-DINITROCATECHOLA1VID0.82
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.74
2AC2-AMINO-P-CRESOLH,I1A2C0.83
2AC2-AMINO-P-CRESOLA1L4M0.83
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.74
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.82
TY23-AMINO-L-TYROSINEA,B2VH30.72
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.83
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.9
DNF2,4-DINITROPHENOLA,B2B160.88
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.88
DNF2,4-DINITROPHENOLA1GVO0.88
DNF2,4-DINITROPHENOLA,B2B150.88
DNF2,4-DINITROPHENOLA,B2B140.88
AZY3-AZIDO-L-TYROSINEA2YXN0.71
4NC4-NITROCATECHOLA1NO30.74
4NC4-NITROCATECHOLB2BUU0.74
4NC4-NITROCATECHOLB2BUZ0.74
4NC4-NITROCATECHOLB1EOC0.74
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.74
4NL4-AMINOPHENOLA2ORL0.7
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.72
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.81
NPOP-NITROPHENOLA,B1Z440.8
NPOP-NITROPHENOLX2ZYW0.8
NPOP-NITROPHENOLH,L1YEK0.8
NPOP-NITROPHENOLA,C,E,G43CA0.8
NPOP-NITROPHENOLA1LS60.8
NPOP-NITROPHENOLX2ZVP0.8
NPOP-NITROPHENOLA,B2I100.8
NPOP-NITROPHENOLA1VAH0.8
NPOP-NITROPHENOLA,B3ETT0.8
NPOP-NITROPHENOLA,B2D200.8
NPOP-NITROPHENOLX2ZYV0.8
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.73
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.73
4NP4-NITROPHENYL PHOSPHATEA2I6P0.73
NIYMETA-NITRO-TYROSINEA2ADP0.8
NIYMETA-NITRO-TYROSINEA3DIV0.8
NIYMETA-NITRO-TYROSINEA2H5U0.8
NIYMETA-NITRO-TYROSINEA1K4Q0.8
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.8
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.72
4NS4-nitrophenyl sulfateX2ZYU0.75
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
2AF2-AMINOPHENOLA1L4N0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.73
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.73
TNFPICRIC ACIDA1GVS0.89
TNFPICRIC ACIDX1VYP0.89
TNFPICRIC ACIDA1VYR0.89
TNFPICRIC ACIDX1VYS0.89