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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02243484

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.79
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
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.74
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.72
MTBA,B1SRF0.7
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.76
4NS4-nitrophenyl sulfateX2ZYU0.82
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.81
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.81
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.72
2AC2-AMINO-P-CRESOLH,I1A2C0.81
2AC2-AMINO-P-CRESOLA1L4M0.81
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.75
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.76
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.81
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.81
4NP4-NITROPHENYL PHOSPHATEA2I6P0.81
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
HABA,B1SRE0.72
TNFPICRIC ACIDA1GVS0.8
TNFPICRIC ACIDX1VYP0.8
TNFPICRIC ACIDA1VYR0.8
TNFPICRIC ACIDX1VYS0.8
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.77
TY23-AMINO-L-TYROSINEA,B2VH30.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
NPOP-NITROPHENOLA,B1Z440.9
NPOP-NITROPHENOLX2ZYW0.9
NPOP-NITROPHENOLH,L1YEK0.9
NPOP-NITROPHENOLA,C,E,G43CA0.9
NPOP-NITROPHENOLA1LS60.9
NPOP-NITROPHENOLX2ZVP0.9
NPOP-NITROPHENOLA,B2I100.9
NPOP-NITROPHENOLA1VAH0.9
NPOP-NITROPHENOLA,B3ETT0.9
NPOP-NITROPHENOLA,B2D200.9
NPOP-NITROPHENOLX2ZYV0.9
NCR2-NITRO-P-CRESOLA,B1AHV0.91
MHBA,B1SRG0.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.72
DNC3,5-DINITROCATECHOLA3BWY0.75
DNC3,5-DINITROCATECHOLA3BWM0.75
DNC3,5-DINITROCATECHOLA1VID0.75
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.75
SOAISATOIC ANHYDRIDEA1BIO0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.85
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
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.83
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.7
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.78
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.75
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.75
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.74
4NL4-AMINOPHENOLA2ORL0.79
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
2AF2-AMINOPHENOLA1L4N0.75
AZY3-AZIDO-L-TYROSINEA2YXN0.7
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.79
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.79
4NC4-NITROCATECHOLA1NO30.82
4NC4-NITROCATECHOLB2BUU0.82
4NC4-NITROCATECHOLB2BUZ0.82
4NC4-NITROCATECHOLB1EOC0.82
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.7
NIYMETA-NITRO-TYROSINEA2ADP0.76
NIYMETA-NITRO-TYROSINEA3DIV0.76
NIYMETA-NITRO-TYROSINEA2H5U0.76
NIYMETA-NITRO-TYROSINEA1K4Q0.76
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.76