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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02391788

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
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
DMBA,B1SRI0.72
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.72
4NC4-NITROCATECHOLA1NO30.78
4NC4-NITROCATECHOLB2BUU0.78
4NC4-NITROCATECHOLB2BUZ0.78
4NC4-NITROCATECHOLB1EOC0.78
HABA,B1SRE0.74
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
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.78
2AC2-AMINO-P-CRESOLH,I1A2C0.83
2AC2-AMINO-P-CRESOLA1L4M0.83
2MP3,4-DIMETHYLPHENOLA1L5O0.7
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
TNFPICRIC ACIDA1GVS0.76
TNFPICRIC ACIDX1VYP0.76
TNFPICRIC ACIDA1VYR0.76
TNFPICRIC ACIDX1VYS0.76
4NS4-nitrophenyl sulfateX2ZYU0.79
EDREDROPHONIUM IONA1AX90.7
EDREDROPHONIUM IONA2ACK0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
DNF2,4-DINITROPHENOLA,B2B160.79
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.79
DNF2,4-DINITROPHENOLA1GVO0.79
DNF2,4-DINITROPHENOLA,B2B150.79
DNF2,4-DINITROPHENOLA,B2B140.79
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.76
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.76
NPOP-NITROPHENOLA,B1Z440.86
NPOP-NITROPHENOLX2ZYW0.86
NPOP-NITROPHENOLH,L1YEK0.86
NPOP-NITROPHENOLA,C,E,G43CA0.86
NPOP-NITROPHENOLA1LS60.86
NPOP-NITROPHENOLX2ZVP0.86
NPOP-NITROPHENOLA,B2I100.86
NPOP-NITROPHENOLA1VAH0.86
NPOP-NITROPHENOLA,B3ETT0.86
NPOP-NITROPHENOLA,B2D200.86
NPOP-NITROPHENOLX2ZYV0.86
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.72
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.7
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.72
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.72
TY23-AMINO-L-TYROSINEA,B2VH30.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.77
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.77
4NL4-AMINOPHENOLA2ORL0.82
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.78
MHBA,B1SRG0.73
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.72
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.72
NCR2-NITRO-P-CRESOLA,B1AHV0.86
2AF2-AMINOPHENOLA1L4N0.78
SOAISATOIC ANHYDRIDEA1BIO0.75
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.78
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.78
4NP4-NITROPHENYL PHOSPHATEA2I6P0.78
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
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.76
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.76
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.73
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.72
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.7
AEF4-(2-aminoethyl)phenolA3BRA0.7
DNC3,5-DINITROCATECHOLA3BWY0.72
DNC3,5-DINITROCATECHOLA3BWM0.72
DNC3,5-DINITROCATECHOLA1VID0.72
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.7
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.75
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.72
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.71
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.72
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.74