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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02515994

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.71
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
MTBA,B1SRF0.78
NCR2-NITRO-P-CRESOLA,B1AHV0.71
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.71
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
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,D1XQC0.73
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.71
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.7
4NL4-AMINOPHENOLA2ORL0.72
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.85
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.76
2AC2-AMINO-P-CRESOLA1L4M0.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.75
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.75
AZY3-AZIDO-L-TYROSINEA2YXN0.71
EDREDROPHONIUM IONA1AX90.77
EDREDROPHONIUM IONA2ACK0.77
SOAISATOIC ANHYDRIDEA1BIO0.71
TY23-AMINO-L-TYROSINEA,B2VH30.71
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.74
DMBA,B1SRI0.79
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.7
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.73
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.7
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.77
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.81
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.81
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.81
HABA,B1SRE0.76
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.78
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.78
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
MHBA,B1SRG0.78
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71