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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03425853

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.7
MTBA,B1SRF0.7
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.7
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.76
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.75
DNF2,4-DINITROPHENOLA,B2B160.8
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.8
DNF2,4-DINITROPHENOLA1GVO0.8
DNF2,4-DINITROPHENOLA,B2B150.8
DNF2,4-DINITROPHENOLA,B2B140.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.71
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.82
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.81
4NC4-NITROCATECHOLA1NO30.73
4NC4-NITROCATECHOLB2BUU0.73
4NC4-NITROCATECHOLB2BUZ0.73
4NC4-NITROCATECHOLB1EOC0.73
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.78
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.78
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.78
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.75
AZY3-AZIDO-L-TYROSINEA2YXN0.76
4NL4-AMINOPHENOLA2ORL0.7
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.81
TY23-AMINO-L-TYROSINEA,B2VH30.76
DNC3,5-DINITROCATECHOLA3BWY0.74
DNC3,5-DINITROCATECHOLA3BWM0.74
DNC3,5-DINITROCATECHOLA1VID0.74
2AC2-AMINO-P-CRESOLH,I1A2C0.84
2AC2-AMINO-P-CRESOLA1L4M0.84
4NS4-nitrophenyl sulfateX2ZYU0.73
DMBA,B1SRI0.71
TNFPICRIC ACIDA1GVS0.78
TNFPICRIC ACIDX1VYP0.78
TNFPICRIC ACIDA1VYR0.78
TNFPICRIC ACIDX1VYS0.78
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.71
NCR2-NITRO-P-CRESOLA,B1AHV0.92
MHBA,B1SRG0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.71
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.71
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.7
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.7
HABA,B1SRE0.71
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.74
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.84
2AF2-AMINOPHENOLA1L4N0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.73
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.73
NIYMETA-NITRO-TYROSINEA2ADP0.81
NIYMETA-NITRO-TYROSINEA3DIV0.81
NIYMETA-NITRO-TYROSINEA2H5U0.81
NIYMETA-NITRO-TYROSINEA1K4Q0.81
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.81
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.72
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.72
4NP4-NITROPHENYL PHOSPHATEA2I6P0.72
NPOP-NITROPHENOLA,B1Z440.79
NPOP-NITROPHENOLX2ZYW0.79
NPOP-NITROPHENOLH,L1YEK0.79
NPOP-NITROPHENOLA,C,E,G43CA0.79
NPOP-NITROPHENOLA1LS60.79
NPOP-NITROPHENOLX2ZVP0.79
NPOP-NITROPHENOLA,B2I100.79
NPOP-NITROPHENOLA1VAH0.79
NPOP-NITROPHENOLA,B3ETT0.79
NPOP-NITROPHENOLA,B2D200.79
NPOP-NITROPHENOLX2ZYV0.79
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.71