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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02327015

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.78
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.7
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.88
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.75
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.75
PPNPARA-NITROPHENYLALANINEI1YTJ0.82
NID4-NITRO-INDEN-1-ONEA,B1DOH0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.78
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.79
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.86
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.71
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
AAHH1KEL0.72
AAHB,H1FL60.72