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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03481015

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNSA,B,L2G2R0.76
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.9
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.77
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.74
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.75
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
CBLCHLORAMBUCILA,B3CSJ0.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.72
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.72
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.72
AAHH1KEL0.75
AAHB,H1FL60.75
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.76
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.75
IBRA9EST0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.8
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.71
0A9methyl L-phenylalaninateA1AY20.71
0A9methyl L-phenylalaninateI5ER10.71
0A9methyl L-phenylalaninateI,P1HDT0.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.78
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.83
PPNPARA-NITROPHENYLALANINEI1YTJ0.85
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.85
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.73
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.73
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.73