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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00014501

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.72
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
SOAISATOIC ANHYDRIDEA1BIO0.82
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
NCR2-NITRO-P-CRESOLA,B1AHV0.79
NPOP-NITROPHENOLA,B1Z440.75
NPOP-NITROPHENOLX2ZYW0.75
NPOP-NITROPHENOLH,L1YEK0.75
NPOP-NITROPHENOLA,C,E,G43CA0.75
NPOP-NITROPHENOLA1LS60.75
NPOP-NITROPHENOLX2ZVP0.75
NPOP-NITROPHENOLA,B2I100.75
NPOP-NITROPHENOLA1VAH0.75
NPOP-NITROPHENOLA,B3ETT0.75
NPOP-NITROPHENOLA,B2D200.75
NPOP-NITROPHENOLX2ZYV0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.7
PNZP-NITRO-BENZYLAMINEA,B2C700.7
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.86
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.86
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.86
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.83
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.83
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.83
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.81
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.76
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
CLMCHLORAMPHENICOLA1K010.7
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.7
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.7
CLMCHLORAMPHENICOLA2XAT0.7
CLMCHLORAMPHENICOLA4CLA0.7
CLMCHLORAMPHENICOLA1CLA0.7
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.7
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.7
CLMCHLORAMPHENICOLA,B2UXP0.7
CLMCHLORAMPHENICOLA1QHS0.7
CLMCHLORAMPHENICOLA1QHY0.7
CLMCHLORAMPHENICOLA3CLA0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.89
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.76
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.74
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.81
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.78
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.74
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.7
GAB3-AMINOBENZOIC ACIDA,B3GSB0.7
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.7
GAB3-AMINOBENZOIC ACIDA3FHB0.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.76
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.76
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.7
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.7
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.75
4NS4-nitrophenyl sulfateX2ZYU0.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.77
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.72
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76