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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02313773

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.72
SS11-PHENYLETHANOLH1UM50.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
CLMCHLORAMPHENICOLA1K010.73
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.73
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.73
CLMCHLORAMPHENICOLA2XAT0.73
CLMCHLORAMPHENICOLA4CLA0.73
CLMCHLORAMPHENICOLA1CLA0.73
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.73
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.73
CLMCHLORAMPHENICOLA,B2UXP0.73
CLMCHLORAMPHENICOLA1QHS0.73
CLMCHLORAMPHENICOLA1QHY0.73
CLMCHLORAMPHENICOLA3CLA0.73
NCR2-NITRO-P-CRESOLA,B1AHV0.79
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.78
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.76
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.72
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.88
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.88
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.88
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.71
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
NIYMETA-NITRO-TYROSINEA2ADP0.7
NIYMETA-NITRO-TYROSINEA3DIV0.7
NIYMETA-NITRO-TYROSINEA2H5U0.7
NIYMETA-NITRO-TYROSINEA1K4Q0.7
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.7
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.75
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.7
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.79
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.84
SOAISATOIC ANHYDRIDEA1BIO0.84
4NC4-NITROCATECHOLA1NO30.71
4NC4-NITROCATECHOLB2BUU0.71
4NC4-NITROCATECHOLB2BUZ0.71
4NC4-NITROCATECHOLB1EOC0.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.9
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.9
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.9
4NB4-NITROBENZOIC ACIDA,B3CHT0.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.84
NPOP-NITROPHENOLA,B1Z440.76
NPOP-NITROPHENOLX2ZYW0.76
NPOP-NITROPHENOLH,L1YEK0.76
NPOP-NITROPHENOLA,C,E,G43CA0.76
NPOP-NITROPHENOLA1LS60.76
NPOP-NITROPHENOLX2ZVP0.76
NPOP-NITROPHENOLA,B2I100.76
NPOP-NITROPHENOLA1VAH0.76
NPOP-NITROPHENOLA,B3ETT0.76
NPOP-NITROPHENOLA,B2D200.76
NPOP-NITROPHENOLX2ZYV0.76
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.77
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.9
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.75
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71