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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006453

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
TNL2,4,6-TRINITROTOLUENEA1GVR0.76
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.73
SOAISATOIC ANHYDRIDEA1BIO0.8
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.71
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.88
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.71
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.71
4NP4-NITROPHENYL PHOSPHATEA2I6P0.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.92
PAB4-AMINOBENZOIC ACIDA1PBD0.71
PAB4-AMINOBENZOIC ACIDB2DZA0.71
PAB4-AMINOBENZOIC ACIDA1IUS0.71
PAB4-AMINOBENZOIC ACIDA1IUU0.71
PAB4-AMINOBENZOIC ACIDA1IUT0.71
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
CLMCHLORAMPHENICOLA1K010.72
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.72
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.72
CLMCHLORAMPHENICOLA2XAT0.72
CLMCHLORAMPHENICOLA4CLA0.72
CLMCHLORAMPHENICOLA1CLA0.72
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.72
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.72
CLMCHLORAMPHENICOLA,B2UXP0.72
CLMCHLORAMPHENICOLA1QHS0.72
CLMCHLORAMPHENICOLA1QHY0.72
CLMCHLORAMPHENICOLA3CLA0.72
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.73
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.72
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.72
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.72
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.71
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.8
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
NINDINITROPHENYLENEA1RSM0.71
NINDINITROPHENYLENEA1GVY0.71
NINDINITROPHENYLENEA1GW10.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.88
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.7
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.81
PNZP-NITRO-BENZYLAMINEA,B2C700.81
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.77
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
NBZNITROBENZENEA,B2BMQ0.73
NBZNITROBENZENEA,B3BGU0.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.87
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.87
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.87
4NS4-nitrophenyl sulfateX2ZYU0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.75
4NB4-NITROBENZOIC ACIDA,B3CHT0.77
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.75
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71