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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03217122

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.73
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
NCR2-NITRO-P-CRESOLA,B1AHV0.81
2AF2-AMINOPHENOLA1L4N0.82
TNFPICRIC ACIDA1GVS0.83
TNFPICRIC ACIDX1VYP0.83
TNFPICRIC ACIDA1VYR0.83
TNFPICRIC ACIDX1VYS0.83
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
4NS4-nitrophenyl sulfateX2ZYU0.76
4NL4-AMINOPHENOLA2ORL0.78
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.75
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.75
4NP4-NITROPHENYL PHOSPHATEA2I6P0.75
DNC3,5-DINITROCATECHOLA3BWY0.85
DNC3,5-DINITROCATECHOLA3BWM0.85
DNC3,5-DINITROCATECHOLA1VID0.85
2AC2-AMINO-P-CRESOLH,I1A2C0.75
2AC2-AMINO-P-CRESOLA1L4M0.75
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.8
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.8
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.72
DNF2,4-DINITROPHENOLA,B2B160.85
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.85
DNF2,4-DINITROPHENOLA1GVO0.85
DNF2,4-DINITROPHENOLA,B2B150.85
DNF2,4-DINITROPHENOLA,B2B140.85
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
NPOP-NITROPHENOLA,B1Z440.83
NPOP-NITROPHENOLX2ZYW0.83
NPOP-NITROPHENOLH,L1YEK0.83
NPOP-NITROPHENOLA,C,E,G43CA0.83
NPOP-NITROPHENOLA1LS60.83
NPOP-NITROPHENOLX2ZVP0.83
NPOP-NITROPHENOLA,B2I100.83
NPOP-NITROPHENOLA1VAH0.83
NPOP-NITROPHENOLA,B3ETT0.83
NPOP-NITROPHENOLA,B2D200.83
NPOP-NITROPHENOLX2ZYV0.83
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.92
EDREDROPHONIUM IONA1AX90.71
EDREDROPHONIUM IONA2ACK0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.7
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.73
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.73
4NC4-NITROCATECHOLA1NO30.83
4NC4-NITROCATECHOLB2BUU0.83
4NC4-NITROCATECHOLB2BUZ0.83
4NC4-NITROCATECHOLB1EOC0.83