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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813149

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
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.81
NCR2-NITRO-P-CRESOLA,B1AHV0.79
NIYMETA-NITRO-TYROSINEA2ADP0.85
NIYMETA-NITRO-TYROSINEA3DIV0.85
NIYMETA-NITRO-TYROSINEA2H5U0.85
NIYMETA-NITRO-TYROSINEA1K4Q0.85
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.85
TNFPICRIC ACIDA1GVS0.76
TNFPICRIC ACIDX1VYP0.76
TNFPICRIC ACIDA1VYR0.76
TNFPICRIC ACIDX1VYS0.76
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.91
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.74
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
DNC3,5-DINITROCATECHOLA3BWY0.71
DNC3,5-DINITROCATECHOLA3BWM0.71
DNC3,5-DINITROCATECHOLA1VID0.71
HABA,B1SRE0.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.72
DNF2,4-DINITROPHENOLA,B2B160.76
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.76
DNF2,4-DINITROPHENOLA1GVO0.76
DNF2,4-DINITROPHENOLA,B2B150.76
DNF2,4-DINITROPHENOLA,B2B140.76
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.72
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.82
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.71
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.74
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.78
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
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
1KYI0.71
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE
A,B,C,G,H,I,
L,M,N
1OFI0.71
AZY3-AZIDO-L-TYROSINEA2YXN0.77
2AC2-AMINO-P-CRESOLH,I1A2C0.7
2AC2-AMINO-P-CRESOLA1L4M0.7
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.82
MHBA,B1SRG0.7
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71