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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00050017

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
DMBA,B1SRI0.72
HABA,B1SRE0.73
AZY3-AZIDO-L-TYROSINEA2YXN0.82
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.73
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.73
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.71
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.74
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.73
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.78
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.78
DTYD-TYROSINEA1C4B0.71
DTYD-TYROSINEA,L1ZEA0.71
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.71
DTYD-TYROSINEA,B1UNO0.71
DTYD-TYROSINEA2IGZ0.71
DTYD-TYROSINEA,B,C,H,K,L2R5D0.71
DTYD-TYROSINEA,B2Q330.71
DTYD-TYROSINEH,S2H9E0.71
DTYD-TYROSINEA,B,C,H,K,L2R5B0.71
DTYD-TYROSINEA2IH00.71
DTYD-TYROSINEA1D7T0.71
DTYD-TYROSINEA,B1XA00.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.7
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.91
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.73
NCR2-NITRO-P-CRESOLA,B1AHV0.83
NIYMETA-NITRO-TYROSINEA2ADP0.91
NIYMETA-NITRO-TYROSINEA3DIV0.91
NIYMETA-NITRO-TYROSINEA2H5U0.91
NIYMETA-NITRO-TYROSINEA1K4Q0.91
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.91
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
DNF2,4-DINITROPHENOLA,B2B160.79
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.79
DNF2,4-DINITROPHENOLA1GVO0.79
DNF2,4-DINITROPHENOLA,B2B150.79
DNF2,4-DINITROPHENOLA,B2B140.79
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
TNFPICRIC ACIDA1GVS0.8
TNFPICRIC ACIDX1VYP0.8
TNFPICRIC ACIDA1VYR0.8
TNFPICRIC ACIDX1VYS0.8
NPOP-NITROPHENOLA,B1Z440.72
NPOP-NITROPHENOLX2ZYW0.72
NPOP-NITROPHENOLH,L1YEK0.72
NPOP-NITROPHENOLA,C,E,G43CA0.72
NPOP-NITROPHENOLA1LS60.72
NPOP-NITROPHENOLX2ZVP0.72
NPOP-NITROPHENOLA,B2I100.72
NPOP-NITROPHENOLA1VAH0.72
NPOP-NITROPHENOLA,B3ETT0.72
NPOP-NITROPHENOLA,B2D200.72
NPOP-NITROPHENOLX2ZYV0.72
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
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.74
2TY2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-
L-TYROSINE
A,B2CWV0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.77
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.86
MTBA,B1SRF0.71
MHBA,B1SRG0.73
DNC3,5-DINITROCATECHOLA3BWY0.74
DNC3,5-DINITROCATECHOLA3BWM0.74
DNC3,5-DINITROCATECHOLA1VID0.74
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.74
2AC2-AMINO-P-CRESOLA1L4M0.74
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.83
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
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
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.78
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.78
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
TY23-AMINO-L-TYROSINEA,B2VH30.83
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.75
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.83