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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03460125

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.76
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.76
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.76
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.76
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.76
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.75
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.75
4NC4-NITROCATECHOLA1NO30.78
4NC4-NITROCATECHOLB2BUU0.78
4NC4-NITROCATECHOLB2BUZ0.78
4NC4-NITROCATECHOLB1EOC0.78
NCR2-NITRO-P-CRESOLA,B1AHV0.71
2AF2-AMINOPHENOLA1L4N0.81
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.76
2AC2-AMINO-P-CRESOLA1L4M0.76
NPOP-NITROPHENOLA,B1Z440.78
NPOP-NITROPHENOLX2ZYW0.78
NPOP-NITROPHENOLH,L1YEK0.78
NPOP-NITROPHENOLA,C,E,G43CA0.78
NPOP-NITROPHENOLA1LS60.78
NPOP-NITROPHENOLX2ZVP0.78
NPOP-NITROPHENOLA,B2I100.78
NPOP-NITROPHENOLA1VAH0.78
NPOP-NITROPHENOLA,B3ETT0.78
NPOP-NITROPHENOLA,B2D200.78
NPOP-NITROPHENOLX2ZYV0.78
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
4NS4-nitrophenyl sulfateX2ZYU0.71
4NL4-AMINOPHENOLA2ORL0.82
DNC3,5-DINITROCATECHOLA3BWY0.73
DNC3,5-DINITROCATECHOLA3BWM0.73
DNC3,5-DINITROCATECHOLA1VID0.73
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.75
DNF2,4-DINITROPHENOLA,B2B160.73
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.73
DNF2,4-DINITROPHENOLA1GVO0.73
DNF2,4-DINITROPHENOLA,B2B150.73
DNF2,4-DINITROPHENOLA,B2B140.73
TNFPICRIC ACIDA1GVS0.7
TNFPICRIC ACIDX1VYP0.7
TNFPICRIC ACIDA1VYR0.7
TNFPICRIC ACIDX1VYS0.7
EDREDROPHONIUM IONA1AX90.88
EDREDROPHONIUM IONA2ACK0.88
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.71