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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03925792

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
NPOP-NITROPHENOLA,B1Z440.89
NPOP-NITROPHENOLX2ZYW0.89
NPOP-NITROPHENOLH,L1YEK0.89
NPOP-NITROPHENOLA,C,E,G43CA0.89
NPOP-NITROPHENOLA1LS60.89
NPOP-NITROPHENOLX2ZVP0.89
NPOP-NITROPHENOLA,B2I100.89
NPOP-NITROPHENOLA1VAH0.89
NPOP-NITROPHENOLA,B3ETT0.89
NPOP-NITROPHENOLA,B2D200.89
NPOP-NITROPHENOLX2ZYV0.89
EDREDROPHONIUM IONA1AX90.75
EDREDROPHONIUM IONA2ACK0.75
DMBA,B1SRI0.72
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
HABA,B1SRE0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.79
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.79
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.76
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.76
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.79
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.7
NCR2-NITRO-P-CRESOLA,B1AHV0.76
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.72
2AF2-AMINOPHENOLA1L4N0.81
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.75
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.73
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.71
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.78
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.78
TNFPICRIC ACIDA1GVS0.8
TNFPICRIC ACIDX1VYP0.8
TNFPICRIC ACIDA1VYR0.8
TNFPICRIC ACIDX1VYS0.8
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.79
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.79
4NP4-NITROPHENYL PHOSPHATEA2I6P0.79
4NL4-AMINOPHENOLA2ORL0.86
4NS4-nitrophenyl sulfateX2ZYU0.81
DNC3,5-DINITROCATECHOLA3BWY0.75
DNC3,5-DINITROCATECHOLA3BWM0.75
DNC3,5-DINITROCATECHOLA1VID0.75
2AC2-AMINO-P-CRESOLH,I1A2C0.75
2AC2-AMINO-P-CRESOLA1L4M0.75
MHBA,B1SRG0.73
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
4NC4-NITROCATECHOLA1NO30.8
4NC4-NITROCATECHOLB2BUU0.8
4NC4-NITROCATECHOLB2BUZ0.8
4NC4-NITROCATECHOLB1EOC0.8
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.71
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.84
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.77