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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02839921

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AC2-AMINO-P-CRESOLH,I1A2C0.8
2AC2-AMINO-P-CRESOLA1L4M0.8
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.7
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.88
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.76
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.76
TNFPICRIC ACIDA1GVS0.79
TNFPICRIC ACIDX1VYP0.79
TNFPICRIC ACIDA1VYR0.79
TNFPICRIC ACIDX1VYS0.79
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.7
4NC4-NITROCATECHOLA1NO30.72
4NC4-NITROCATECHOLB2BUU0.72
4NC4-NITROCATECHOLB2BUZ0.72
4NC4-NITROCATECHOLB1EOC0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.71
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.7
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
NPOP-NITROPHENOLA,B1Z440.77
NPOP-NITROPHENOLX2ZYW0.77
NPOP-NITROPHENOLH,L1YEK0.77
NPOP-NITROPHENOLA,C,E,G43CA0.77
NPOP-NITROPHENOLA1LS60.77
NPOP-NITROPHENOLX2ZVP0.77
NPOP-NITROPHENOLA,B2I100.77
NPOP-NITROPHENOLA1VAH0.77
NPOP-NITROPHENOLA,B3ETT0.77
NPOP-NITROPHENOLA,B2D200.77
NPOP-NITROPHENOLX2ZYV0.77
DNF2,4-DINITROPHENOLA,B2B160.81
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.81
DNF2,4-DINITROPHENOLA1GVO0.81
DNF2,4-DINITROPHENOLA,B2B150.81
DNF2,4-DINITROPHENOLA,B2B140.81
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.7
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.74
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.8
TY23-AMINO-L-TYROSINEA,B2VH30.76
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.85
NIYMETA-NITRO-TYROSINEA2ADP0.83
NIYMETA-NITRO-TYROSINEA3DIV0.83
NIYMETA-NITRO-TYROSINEA2H5U0.83
NIYMETA-NITRO-TYROSINEA1K4Q0.83
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.83
AZY3-AZIDO-L-TYROSINEA2YXN0.75
DNC3,5-DINITROCATECHOLA3BWY0.74
DNC3,5-DINITROCATECHOLA3BWM0.74
DNC3,5-DINITROCATECHOLA1VID0.74
4NS4-nitrophenyl sulfateX2ZYU0.73
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
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.76
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.7
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.76
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.76
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.73
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.72
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.72
4NP4-NITROPHENYL PHOSPHATEA2I6P0.72
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.83
2AF2-AMINOPHENOLA1L4N0.73
NCR2-NITRO-P-CRESOLA,B1AHV0.89