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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02990930

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.8
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.81
NCR2-NITRO-P-CRESOLA,B1AHV0.79
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.89
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.89
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.89
CLMCHLORAMPHENICOLA1K010.74
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.74
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.74
CLMCHLORAMPHENICOLA2XAT0.74
CLMCHLORAMPHENICOLA4CLA0.74
CLMCHLORAMPHENICOLA1CLA0.74
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.74
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.74
CLMCHLORAMPHENICOLA,B2UXP0.74
CLMCHLORAMPHENICOLA1QHS0.74
CLMCHLORAMPHENICOLA1QHY0.74
CLMCHLORAMPHENICOLA3CLA0.74
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.86
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
NPOP-NITROPHENOLA,B1Z440.74
NPOP-NITROPHENOLX2ZYW0.74
NPOP-NITROPHENOLH,L1YEK0.74
NPOP-NITROPHENOLA,C,E,G43CA0.74
NPOP-NITROPHENOLA1LS60.74
NPOP-NITROPHENOLX2ZVP0.74
NPOP-NITROPHENOLA,B2I100.74
NPOP-NITROPHENOLA1VAH0.74
NPOP-NITROPHENOLA,B3ETT0.74
NPOP-NITROPHENOLA,B2D200.74
NPOP-NITROPHENOLX2ZYV0.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.81
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.81
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.81
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.71
TNFPICRIC ACIDA1GVS0.71
TNFPICRIC ACIDX1VYP0.71
TNFPICRIC ACIDA1VYR0.71
TNFPICRIC ACIDX1VYS0.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.75
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.81
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
4NS4-nitrophenyl sulfateX2ZYU0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.75
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.75
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.75
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.81
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.72
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.76
M09(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-
8,9,10-triol
A2QRM0.7
DNF2,4-DINITROPHENOLA,B2B160.72
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.72
DNF2,4-DINITROPHENOLA1GVO0.72
DNF2,4-DINITROPHENOLA,B2B150.72
DNF2,4-DINITROPHENOLA,B2B140.72
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.72
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.72
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.71
SOAISATOIC ANHYDRIDEA1BIO0.78
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.75