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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02339358

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
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.74
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
IBRA9EST0.71
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.71
GAB3-AMINOBENZOIC ACIDA,B3GSB0.71
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.71
GAB3-AMINOBENZOIC ACIDA3FHB0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.87
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.74
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
SX12-amino-5-bromobenzoic acidA,B3CIZ0.71
4BF4-BROMO-L-PHENYLALANINEA2AG60.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.75
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
AAHH1KEL0.75
AAHB,H1FL60.75
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.89
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.79
CBLCHLORAMBUCILA,B3CSJ0.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.82
TNSA,B,L2G2R0.73
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.81
4NB4-NITROBENZOIC ACIDA,B3CHT0.77
PPNPARA-NITROPHENYLALANINEI1YTJ0.84