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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03224476

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
NABA,B1SRJ0.77
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.78
HABA,B1SRE0.75
4NL4-AMINOPHENOLA2ORL0.73
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.7
NCR2-NITRO-P-CRESOLA,B1AHV0.71
ANFANTHRONEH2BJM0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.76
2AC2-AMINO-P-CRESOLA1L4M0.76
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
SOAISATOIC ANHYDRIDEA1BIO0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
DMBA,B1SRI0.79
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.77
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.72
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.7
MTBA,B1SRF0.79
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
MHBA,B1SRG0.77
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.72
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
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.79
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.79
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.79
1NP1-NAPHTHOLX2ZVQ0.7