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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02333657

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.8
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.84
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.77
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.78
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.7
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.71
PAB4-AMINOBENZOIC ACIDA1PBD0.71
PAB4-AMINOBENZOIC ACIDB2DZA0.71
PAB4-AMINOBENZOIC ACIDA1IUS0.71
PAB4-AMINOBENZOIC ACIDA1IUU0.71
PAB4-AMINOBENZOIC ACIDA1IUT0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.8
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.77
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.9
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.77
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.77
NID4-NITRO-INDEN-1-ONEA,B1DOH0.74
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.85
KYNKYNURENINEA,B,C,D2R2N0.7
KYNKYNURENINEA,B3E2Z0.7
KYNKYNURENINEA1XT70.7
KYNKYNURENINEA1T5M0.7
KYNKYNURENINEA1T5N0.7
KYNKYNURENINEA2VOV0.7
KYNKYNURENINEA2VOX0.7
AAHH1KEL0.73
AAHB,H1FL60.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.74
TNSA,B,L2G2R0.74