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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03129437

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
PHLL-PHENYLALANINOLA,B1JOH0.71
PHLL-PHENYLALANINOLI3APR0.71
PHLL-PHENYLALANINOLA1DLZ0.71
PHLL-PHENYLALANINOLA1IH90.71
PHLL-PHENYLALANINOLA1OB40.71
PHLL-PHENYLALANINOLI2ER60.71
PHLL-PHENYLALANINOLA1R9U0.71
PHLL-PHENYLALANINOLA1OB70.71
PHLL-PHENYLALANINOLA,B1OB60.71
PHLL-PHENYLALANINOLA,B,C1AMT0.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.7
NINDINITROPHENYLENEA1RSM0.7
NINDINITROPHENYLENEA1GVY0.7
NINDINITROPHENYLENEA1GW10.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.85
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.85
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.85
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
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
NCR2-NITRO-P-CRESOLA,B1AHV0.71
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.74
AAHH1KEL0.71
AAHB,H1FL60.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.8
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.76
CLMCHLORAMPHENICOLA1K010.72
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.72
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.72
CLMCHLORAMPHENICOLA2XAT0.72
CLMCHLORAMPHENICOLA4CLA0.72
CLMCHLORAMPHENICOLA1CLA0.72
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.72
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.72
CLMCHLORAMPHENICOLA,B2UXP0.72
CLMCHLORAMPHENICOLA1QHS0.72
CLMCHLORAMPHENICOLA1QHY0.72
CLMCHLORAMPHENICOLA3CLA0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.79
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.7
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.78
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.76
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.77
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
SOAISATOIC ANHYDRIDEA1BIO0.75
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
TNL2,4,6-TRINITROTOLUENEA1GVR0.75
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.73
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.82
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.73
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.77
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.78