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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02252656

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.74
DNF2,4-DINITROPHENOLA,B2B160.82
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.82
DNF2,4-DINITROPHENOLA1GVO0.82
DNF2,4-DINITROPHENOLA,B2B150.82
DNF2,4-DINITROPHENOLA,B2B140.82
4NC4-NITROCATECHOLA1NO30.7
4NC4-NITROCATECHOLB2BUU0.7
4NC4-NITROCATECHOLB2BUZ0.7
4NC4-NITROCATECHOLB1EOC0.7
TNFPICRIC ACIDA1GVS0.79
TNFPICRIC ACIDX1VYP0.79
TNFPICRIC ACIDA1VYR0.79
TNFPICRIC ACIDX1VYS0.79
NPOP-NITROPHENOLA,B1Z440.75
NPOP-NITROPHENOLX2ZYW0.75
NPOP-NITROPHENOLH,L1YEK0.75
NPOP-NITROPHENOLA,C,E,G43CA0.75
NPOP-NITROPHENOLA1LS60.75
NPOP-NITROPHENOLX2ZVP0.75
NPOP-NITROPHENOLA,B2I100.75
NPOP-NITROPHENOLA1VAH0.75
NPOP-NITROPHENOLA,B3ETT0.75
NPOP-NITROPHENOLA,B2D200.75
NPOP-NITROPHENOLX2ZYV0.75
4NS4-nitrophenyl sulfateX2ZYU0.8
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.79
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.71
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.72
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.75
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.75
4NP4-NITROPHENYL PHOSPHATEA2I6P0.75
DNC3,5-DINITROCATECHOLA3BWY0.75
DNC3,5-DINITROCATECHOLA3BWM0.75
DNC3,5-DINITROCATECHOLA1VID0.75
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.7
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.74
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.74
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.7
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.74