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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02343317

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
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
NPOP-NITROPHENOLA,B1Z440.73
NPOP-NITROPHENOLX2ZYW0.73
NPOP-NITROPHENOLH,L1YEK0.73
NPOP-NITROPHENOLA,C,E,G43CA0.73
NPOP-NITROPHENOLA1LS60.73
NPOP-NITROPHENOLX2ZVP0.73
NPOP-NITROPHENOLA,B2I100.73
NPOP-NITROPHENOLA1VAH0.73
NPOP-NITROPHENOLA,B3ETT0.73
NPOP-NITROPHENOLA,B2D200.73
NPOP-NITROPHENOLX2ZYV0.73
DMBA,B1SRI0.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.79
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.72
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.72
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.73
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.73
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.73
NIYMETA-NITRO-TYROSINEA2ADP0.85
NIYMETA-NITRO-TYROSINEA3DIV0.85
NIYMETA-NITRO-TYROSINEA2H5U0.85
NIYMETA-NITRO-TYROSINEA1K4Q0.85
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.85
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1KYI0.74
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE
A,B,C,G,H,I,
L,M,N
1OFI0.74
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.91
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.74
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.74
2AC2-AMINO-P-CRESOLH,I1A2C0.76
2AC2-AMINO-P-CRESOLA1L4M0.76
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.7
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.83
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.76
MTBA,B1SRF0.71
MHBA,B1SRG0.73
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.72
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.72
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.72
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.82
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
DNF2,4-DINITROPHENOLA,B2B160.75
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.75
DNF2,4-DINITROPHENOLA1GVO0.75
DNF2,4-DINITROPHENOLA,B2B150.75
DNF2,4-DINITROPHENOLA,B2B140.75
TNFPICRIC ACIDA1GVS0.74
TNFPICRIC ACIDX1VYP0.74
TNFPICRIC ACIDA1VYR0.74
TNFPICRIC ACIDX1VYS0.74
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.8
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
AZY3-AZIDO-L-TYROSINEA2YXN0.77
NCR2-NITRO-P-CRESOLA,B1AHV0.84
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.7
HABA,B1SRE0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.77
4NB4-NITROBENZOIC ACIDA,B3CHT0.77
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.75
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.77
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.76
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.75