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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02177920

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
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.8
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
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.71
4NC4-NITROCATECHOLA1NO30.72
4NC4-NITROCATECHOLB2BUU0.72
4NC4-NITROCATECHOLB2BUZ0.72
4NC4-NITROCATECHOLB1EOC0.72
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
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.84
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.84
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.84
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.84
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.71
SOAISATOIC ANHYDRIDEA1BIO0.79
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
M09(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-
8,9,10-triol
A2QRM0.73
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.75
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.74
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.71
NCR2-NITRO-P-CRESOLA,B1AHV0.74
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.8
CLMCHLORAMPHENICOLA1K010.71
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.71
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.71
CLMCHLORAMPHENICOLA2XAT0.71
CLMCHLORAMPHENICOLA4CLA0.71
CLMCHLORAMPHENICOLA1CLA0.71
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.71
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.71
CLMCHLORAMPHENICOLA,B2UXP0.71
CLMCHLORAMPHENICOLA1QHS0.71
CLMCHLORAMPHENICOLA1QHY0.71
CLMCHLORAMPHENICOLA3CLA0.71
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.72