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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01360506

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.74
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.77
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.71
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.74
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.74
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.74
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
CL8CHLORAMPHENICOL SUCCINATEA,B,C,D,E,F2JKN0.77
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.77
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.84
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.74
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.74
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.85
NIYMETA-NITRO-TYROSINEA2ADP0.7
NIYMETA-NITRO-TYROSINEA3DIV0.7
NIYMETA-NITRO-TYROSINEA2H5U0.7
NIYMETA-NITRO-TYROSINEA1K4Q0.7
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.7
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.76
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.7
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.79
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.7
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.89
NCR2-NITRO-P-CRESOLA,B1AHV0.72
TAA[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-
BENZYL]-PHOSPHONIC ACID MONO-[2-
(2,2-DICHLORO-1-HYDROXY-ETHYLAMINO)-
3-HYDROXY-1-(4-NITRO-PHENYL)-PROPYL] ESTER
A,B,C,D1CT80.72
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
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.77
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.77
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.77
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
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.79
TNSA,B,L2G2R0.72
CLMCHLORAMPHENICOLA1K010.83
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.83
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.83
CLMCHLORAMPHENICOLA2XAT0.83
CLMCHLORAMPHENICOLA4CLA0.83
CLMCHLORAMPHENICOLA1CLA0.83
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.83
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.83
CLMCHLORAMPHENICOLA,B2UXP0.83
CLMCHLORAMPHENICOLA1QHS0.83
CLMCHLORAMPHENICOLA1QHY0.83
CLMCHLORAMPHENICOLA3CLA0.83
SOAISATOIC ANHYDRIDEA1BIO0.72
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.74
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.73
PPNPARA-NITROPHENYLALANINEI1YTJ0.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
CPD[1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-
UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-
BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-
ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-
PROPYL ESTER
H2DQT0.7
CPD[1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-
UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-
BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-
ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-
PROPYL ESTER
H2DQU0.7
AAHH1KEL0.72
AAHB,H1FL60.72