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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049948

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.72
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
CBLCHLORAMBUCILA,B3CSJ0.7
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.73
NIYMETA-NITRO-TYROSINEA2ADP0.7
NIYMETA-NITRO-TYROSINEA3DIV0.7
NIYMETA-NITRO-TYROSINEA2H5U0.7
NIYMETA-NITRO-TYROSINEA1K4Q0.7
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.7
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.89
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.81
AAHH1KEL0.74
AAHB,H1FL60.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.71
SX12-amino-5-bromobenzoic acidA,B3CIZ0.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.78
TNSA,B,L2G2R0.73
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.79
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.85
PPNPARA-NITROPHENYLALANINEI1YTJ0.84