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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010533

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AC2-AMINO-P-CRESOLH,I1A2C0.8
2AC2-AMINO-P-CRESOLA1L4M0.8
NIYMETA-NITRO-TYROSINEA2ADP0.74
NIYMETA-NITRO-TYROSINEA3DIV0.74
NIYMETA-NITRO-TYROSINEA2H5U0.74
NIYMETA-NITRO-TYROSINEA1K4Q0.74
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.74
NPOP-NITROPHENOLA,B1Z440.85
NPOP-NITROPHENOLX2ZYW0.85
NPOP-NITROPHENOLH,L1YEK0.85
NPOP-NITROPHENOLA,C,E,G43CA0.85
NPOP-NITROPHENOLA1LS60.85
NPOP-NITROPHENOLX2ZVP0.85
NPOP-NITROPHENOLA,B2I100.85
NPOP-NITROPHENOLA1VAH0.85
NPOP-NITROPHENOLA,B3ETT0.85
NPOP-NITROPHENOLA,B2D200.85
NPOP-NITROPHENOLX2ZYV0.85
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.71
EDREDROPHONIUM IONA1AX90.74
EDREDROPHONIUM IONA2ACK0.74
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
4NL4-AMINOPHENOLA2ORL0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.76
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.76
TNFPICRIC ACIDA1GVS0.76
TNFPICRIC ACIDX1VYP0.76
TNFPICRIC ACIDA1VYR0.76
TNFPICRIC ACIDX1VYS0.76
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.75
4NC4-NITROCATECHOLA1NO30.85
4NC4-NITROCATECHOLB2BUU0.85
4NC4-NITROCATECHOLB2BUZ0.85
4NC4-NITROCATECHOLB1EOC0.85
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.77
NCR2-NITRO-P-CRESOLA,B1AHV0.9
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.75
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.77
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.72
SOAISATOIC ANHYDRIDEA1BIO0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.82
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.82
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.79
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.83
2AF2-AMINOPHENOLA1L4N0.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.7
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
DNC3,5-DINITROCATECHOLA3BWY0.78
DNC3,5-DINITROCATECHOLA3BWM0.78
DNC3,5-DINITROCATECHOLA1VID0.78
4NS4-nitrophenyl sulfateX2ZYU0.78
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.72
DNF2,4-DINITROPHENOLA,B2B160.78
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.78
DNF2,4-DINITROPHENOLA1GVO0.78
DNF2,4-DINITROPHENOLA,B2B150.78
DNF2,4-DINITROPHENOLA,B2B140.78
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.77
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.77
4NP4-NITROPHENYL PHOSPHATEA2I6P0.77
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.85