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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02808523

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.92
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.92
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.92
NCR2-NITRO-P-CRESOLA,B1AHV0.76
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
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.7
PNZP-NITRO-BENZYLAMINEA,B2C700.7
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
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.78
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.87
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.72
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.81
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.93
SOAISATOIC ANHYDRIDEA1BIO0.79
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
4NC4-NITROCATECHOLA1NO30.74
4NC4-NITROCATECHOLB2BUU0.74
4NC4-NITROCATECHOLB2BUZ0.74
4NC4-NITROCATECHOLB1EOC0.74
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.72
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.7
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.77
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.87
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
M09(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-
8,9,10-triol
A2QRM0.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.78
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.78
CLMCHLORAMPHENICOLA1K010.76
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.76
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.76
CLMCHLORAMPHENICOLA2XAT0.76
CLMCHLORAMPHENICOLA4CLA0.76
CLMCHLORAMPHENICOLA1CLA0.76
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.76
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.76
CLMCHLORAMPHENICOLA,B2UXP0.76
CLMCHLORAMPHENICOLA1QHS0.76
CLMCHLORAMPHENICOLA1QHY0.76
CLMCHLORAMPHENICOLA3CLA0.76
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.7
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.74
4NS4-nitrophenyl sulfateX2ZYU0.7
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.72
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.7
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71