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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02302951

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NID4-NITRO-INDEN-1-ONEA,B1DOH0.7
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.7
PPNPARA-NITROPHENYLALANINEI1YTJ0.81
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.81
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.78
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.74
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.77
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.75
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.85
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.75
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.79
TNSA,B,L2G2R0.72
AAHH1KEL0.72
AAHB,H1FL60.72