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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02253671

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
MTBA,B1SRF0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
LDPL-DOPAMINEA,B2A3R0.72
LDPL-DOPAMINEA5PAH0.72
LDPL-DOPAMINEA,B2QMZ0.72
LDPL-DOPAMINEA,B2VQ50.72
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.72
2AC2-AMINO-P-CRESOLH,I1A2C0.83
2AC2-AMINO-P-CRESOLA1L4M0.83
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.73
NABA,B1SRJ0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
TY23-AMINO-L-TYROSINEA,B2VH30.75
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,D1XQC0.72
HABA,B1SRE0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.7
NH13-(4-AMINO-2-TERT-BUTYL-5-METHYL-
PHENYLSULFANYL)-6-CYCLOPENTYL-4-
HYDROXY-6-[2-(4-HYDROXY-PHENYL)-
ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE
A1OS50.71
NIYMETA-NITRO-TYROSINEA2ADP0.7
NIYMETA-NITRO-TYROSINEA3DIV0.7
NIYMETA-NITRO-TYROSINEA2H5U0.7
NIYMETA-NITRO-TYROSINEA1K4Q0.7
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.7
1NP1-NAPHTHOLX2ZVQ0.71
SOAISATOIC ANHYDRIDEA1BIO0.74
AZY3-AZIDO-L-TYROSINEA2YXN0.74
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.7
AEF4-(2-aminoethyl)phenolA3BRA0.74
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.7
2MP3,4-DIMETHYLPHENOLA1L5O0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.74
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.72
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
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
2AF2-AMINOPHENOLA1L4N0.75
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
MHBA,B1SRG0.7
4NL4-AMINOPHENOLA2ORL0.76
NCR2-NITRO-P-CRESOLA,B1AHV0.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71