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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178084

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
TNSA,B,L2G2R0.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.78
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.79
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.75
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
M09(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-
8,9,10-triol
A2QRM0.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.78
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.78
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.78
PPNPARA-NITROPHENYLALANINEI1YTJ0.73
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.78
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.77