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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03221607

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.71
NABA,B1SRJ0.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.76
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
NPOP-NITROPHENOLA,B1Z440.74
NPOP-NITROPHENOLX2ZYW0.74
NPOP-NITROPHENOLH,L1YEK0.74
NPOP-NITROPHENOLA,C,E,G43CA0.74
NPOP-NITROPHENOLA1LS60.74
NPOP-NITROPHENOLX2ZVP0.74
NPOP-NITROPHENOLA,B2I100.74
NPOP-NITROPHENOLA1VAH0.74
NPOP-NITROPHENOLA,B3ETT0.74
NPOP-NITROPHENOLA,B2D200.74
NPOP-NITROPHENOLX2ZYV0.74
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.72
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
4NL4-AMINOPHENOLA2ORL0.77
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.79
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
AEF4-(2-aminoethyl)phenolA3BRA0.71
AZY3-AZIDO-L-TYROSINEA2YXN0.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.77
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.77
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.77
2AC2-AMINO-P-CRESOLH,I1A2C0.79
2AC2-AMINO-P-CRESOLA1L4M0.79
MHBA,B1SRG0.76
DMBA,B1SRI0.75
SOAISATOIC ANHYDRIDEA1BIO0.71
TY23-AMINO-L-TYROSINEA,B2VH30.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
MTBA,B1SRF0.81
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.81
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.73
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.71
EDREDROPHONIUM IONA1AX90.71
EDREDROPHONIUM IONA2ACK0.71
NCR2-NITRO-P-CRESOLA,B1AHV0.74
HABA,B1SRE0.76
AEJ(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-
A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-
1,2,3,4-TETRAHYDROISOQUINOLIN-6-
OL
A,B,C,D1XQC0.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
2AF2-AMINOPHENOLA1L4N0.73