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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02406098

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.71
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.75
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.75
NPOP-NITROPHENOLA,B1Z440.85
NPOP-NITROPHENOLX2ZYW0.85
NPOP-NITROPHENOLH,L1YEK0.85
NPOP-NITROPHENOLA,C,E,G43CA0.85
NPOP-NITROPHENOLA1LS60.85
NPOP-NITROPHENOLX2ZVP0.85
NPOP-NITROPHENOLA,B2I100.85
NPOP-NITROPHENOLA1VAH0.85
NPOP-NITROPHENOLA,B3ETT0.85
NPOP-NITROPHENOLA,B2D200.85
NPOP-NITROPHENOLX2ZYV0.85
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.72
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.71
2AF2-AMINOPHENOLA1L4N0.76
4NC4-NITROCATECHOLA1NO30.77
4NC4-NITROCATECHOLB2BUU0.77
4NC4-NITROCATECHOLB2BUZ0.77
4NC4-NITROCATECHOLB1EOC0.77
3CH3-CHLOROPHENOLA1LI30.71
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.76
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.76
4NP4-NITROPHENYL PHOSPHATEA2I6P0.76
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.71
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.78
2CH2-CHLOROPHENOLA1WBO0.75
DNC3,5-DINITROCATECHOLA3BWY0.71
DNC3,5-DINITROCATECHOLA3BWM0.71
DNC3,5-DINITROCATECHOLA1VID0.71
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.74
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.74
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.74
4NS4-nitrophenyl sulfateX2ZYU0.78
TN52-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOLA,B1ZW10.75
4NL4-AMINOPHENOLA2ORL0.81
DNF2,4-DINITROPHENOLA,B2B160.78
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.78
DNF2,4-DINITROPHENOLA1GVO0.78
DNF2,4-DINITROPHENOLA,B2B150.78
DNF2,4-DINITROPHENOLA,B2B140.78
TNFPICRIC ACIDA1GVS0.75
TNFPICRIC ACIDX1VYP0.75
TNFPICRIC ACIDA1VYR0.75
TNFPICRIC ACIDX1VYS0.75
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.73