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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03406023

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TY23-AMINO-L-TYROSINEA,B2VH30.78
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.88
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.73
NIYMETA-NITRO-TYROSINEA2ADP0.84
NIYMETA-NITRO-TYROSINEA3DIV0.84
NIYMETA-NITRO-TYROSINEA2H5U0.84
NIYMETA-NITRO-TYROSINEA1K4Q0.84
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.84
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
DNF2,4-DINITROPHENOLA,B2B160.83
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.83
DNF2,4-DINITROPHENOLA1GVO0.83
DNF2,4-DINITROPHENOLA,B2B150.83
DNF2,4-DINITROPHENOLA,B2B140.83
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.86
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.73
4NL4-AMINOPHENOLA2ORL0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.72
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.81
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
DNC3,5-DINITROCATECHOLA3BWY0.76
DNC3,5-DINITROCATECHOLA3BWM0.76
DNC3,5-DINITROCATECHOLA1VID0.76
4NC4-NITROCATECHOLA1NO30.75
4NC4-NITROCATECHOLB2BUU0.75
4NC4-NITROCATECHOLB2BUZ0.75
4NC4-NITROCATECHOLB1EOC0.75
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.82
TNFPICRIC ACIDA1GVS0.8
TNFPICRIC ACIDX1VYP0.8
TNFPICRIC ACIDA1VYR0.8
TNFPICRIC ACIDX1VYS0.8
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.77
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.74
3NT3-NITROTOLUENEA,B2BMR0.7
3NT3-NITROTOLUENEA,B2HMO0.7
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.74
SOAISATOIC ANHYDRIDEA1BIO0.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.79
2AF2-AMINOPHENOLA1L4N0.77
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.72
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.72
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.71
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.74
4NS4-nitrophenyl sulfateX2ZYU0.75
NCR2-NITRO-P-CRESOLA,B1AHV0.97
NPOP-NITROPHENOLA,B1Z440.82
NPOP-NITROPHENOLX2ZYW0.82
NPOP-NITROPHENOLH,L1YEK0.82
NPOP-NITROPHENOLA,C,E,G43CA0.82
NPOP-NITROPHENOLA1LS60.82
NPOP-NITROPHENOLX2ZVP0.82
NPOP-NITROPHENOLA,B2I100.82
NPOP-NITROPHENOLA1VAH0.82
NPOP-NITROPHENOLA,B3ETT0.82
NPOP-NITROPHENOLA,B2D200.82
NPOP-NITROPHENOLX2ZYV0.82
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.74
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.74
4NP4-NITROPHENYL PHOSPHATEA2I6P0.74
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.73
AZY3-AZIDO-L-TYROSINEA2YXN0.77
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.7
2AC2-AMINO-P-CRESOLH,I1A2C0.86
2AC2-AMINO-P-CRESOLA1L4M0.86
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
AEF4-(2-aminoethyl)phenolA3BRA0.7
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.75
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.75
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.75
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.79
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.79
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.79
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72