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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01225938

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.71
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.76
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.76
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.76
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.75
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.84
CLMCHLORAMPHENICOLA1K010.86
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.86
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.86
CLMCHLORAMPHENICOLA2XAT0.86
CLMCHLORAMPHENICOLA4CLA0.86
CLMCHLORAMPHENICOLA1CLA0.86
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.86
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.86
CLMCHLORAMPHENICOLA,B2UXP0.86
CLMCHLORAMPHENICOLA1QHS0.86
CLMCHLORAMPHENICOLA1QHY0.86
CLMCHLORAMPHENICOLA3CLA0.86
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.78
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.78
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.78
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.71
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.81
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.71
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.7
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.79
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.73
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.73
SOAISATOIC ANHYDRIDEA1BIO0.76
CL8CHLORAMPHENICOL SUCCINATEA,B,C,D,E,F2JKN0.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.77
NCR2-NITRO-P-CRESOLA,B1AHV0.72
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
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
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.8
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.88
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.92
GNBS-P-NITROBENZYLOXYCARBONYLGLUTATHIONEA,B,C,D1QIP0.71
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.8
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.71
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.7
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
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
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,D1CT80.73