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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02183697

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.75
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.87
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
4NC4-NITROCATECHOLA1NO30.73
4NC4-NITROCATECHOLB2BUU0.73
4NC4-NITROCATECHOLB2BUZ0.73
4NC4-NITROCATECHOLB1EOC0.73
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.73
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.7
TY23-AMINO-L-TYROSINEA,B2VH30.75
2AC2-AMINO-P-CRESOLH,I1A2C0.81
2AC2-AMINO-P-CRESOLA1L4M0.81
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
NPOP-NITROPHENOLA,B1Z440.78
NPOP-NITROPHENOLX2ZYW0.78
NPOP-NITROPHENOLH,L1YEK0.78
NPOP-NITROPHENOLA,C,E,G43CA0.78
NPOP-NITROPHENOLA1LS60.78
NPOP-NITROPHENOLX2ZVP0.78
NPOP-NITROPHENOLA,B2I100.78
NPOP-NITROPHENOLA1VAH0.78
NPOP-NITROPHENOLA,B3ETT0.78
NPOP-NITROPHENOLA,B2D200.78
NPOP-NITROPHENOLX2ZYV0.78
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.84
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.75
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.74
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.8
NCR2-NITRO-P-CRESOLA,B1AHV0.9
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
NIYMETA-NITRO-TYROSINEA2ADP0.82
NIYMETA-NITRO-TYROSINEA3DIV0.82
NIYMETA-NITRO-TYROSINEA2H5U0.82
NIYMETA-NITRO-TYROSINEA1K4Q0.82
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.82
AZY3-AZIDO-L-TYROSINEA2YXN0.74
DNC3,5-DINITROCATECHOLA3BWY0.74
DNC3,5-DINITROCATECHOLA3BWM0.74
DNC3,5-DINITROCATECHOLA1VID0.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.7
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.84
4NS4-nitrophenyl sulfateX2ZYU0.73
TNFPICRIC ACIDA1GVS0.78
TNFPICRIC ACIDX1VYP0.78
TNFPICRIC ACIDA1VYR0.78
TNFPICRIC ACIDX1VYS0.78
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.71
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.7
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.75
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.75
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.76
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.73
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.72
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.72
4NP4-NITROPHENYL PHOSPHATEA2I6P0.72
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.71
2AF2-AMINOPHENOLA1L4N0.73