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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00445676

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.8
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.78
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.74
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.74
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.73
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE
C,O2V100.72
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.73
MTYMETA-TYROSINEA2TOH0.75
MTYMETA-TYROSINEA,B1BIQ0.75
MTYMETA-TYROSINEA1Q7O0.75
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.8
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.73
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.72
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEX1Y0X0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK10.72
T443,5,3',5'-TETRAIODO-L-THYRONINEC,D1ICT0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA2RIW0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2ROX0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1IE40.72
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETB0.72
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETA0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B,C1SN00.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2CEO0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1F860.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK40.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK20.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK50.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK30.72
LNRL-NOREPINEPHRINEA,B2QEO0.79
LNRL-NOREPINEPHRINEA3DYE0.79
LNRL-NOREPINEPHRINEA4PAH0.79
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.73
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.73
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.73
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.73
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.7
YOF3-FLUOROTYROSINEA,B1XIL0.7
YOF3-FLUOROTYROSINEA,B1XDC0.7
YOF3-FLUOROTYROSINEA1RRX0.7
YOF3-FLUOROTYROSINEA,B3FYG0.7
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.72
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.72
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.72
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.72
STH2-AMINO-4H-1,3-BENZOXATHIIN-4-OLA,B,C,D1XKL0.74
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.8
TY33-HYDROXY-L-TYROSINEA,B2VH30.72
OHT4-HYDROXYTAMOXIFENA3ERT0.71
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.71
OHT4-HYDROXYTAMOXIFENA,B1VJB0.71
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.71
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.71
OHT4-HYDROXYTAMOXIFENA2GPU0.71
OHT4-HYDROXYTAMOXIFENA2P7Z0.71
OHT4-HYDROXYTAMOXIFENA,B2BJ40.71
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.71
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.7
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.77
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.77
C41ALISKIRENC,O2V0Z0.71
DTYD-TYROSINEA1C4B0.72
DTYD-TYROSINEA,L1ZEA0.72
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.72
DTYD-TYROSINEA,B1UNO0.72
DTYD-TYROSINEA2IGZ0.72
DTYD-TYROSINEA,B,C,H,K,L2R5D0.72
DTYD-TYROSINEA,B2Q330.72
DTYD-TYROSINEH,S2H9E0.72
DTYD-TYROSINEA,B,C,H,K,L2R5B0.72
DTYD-TYROSINEA2IH00.72
DTYD-TYROSINEA1D7T0.72
DTYD-TYROSINEA,B1XA00.72
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.75
4422-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-
PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-
1,1-DIOL
A1R6G0.7
AEF4-(2-aminoethyl)phenolA3BRA0.74
FLTFLUOROMALONYL TYROSINEI1BZH0.7
PTHCE1-METHYLENE-HYDROXY-PHOSPHOTYROSINEC,D1A090.72
PTHCE1-METHYLENE-HYDROXY-PHOSPHOTYROSINEC,D1A1A0.72
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM
B1UUI0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.71
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.79
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.79
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.79
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.76
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.78
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
DPDA,B1QIW0.7
DPDA1QIV0.7
TYBTYROSINALA,B1KDZ0.73
TYBTYROSINALA1Q110.73
TYBTYROSINALA,B2J5B0.73
TYBTYROSINALA,I1GA40.73
TYBTYROSINALA,B,C1NLU0.73
TYBTYROSINALA,B1KE10.73
TYBTYROSINALA,B1H3F0.73
TYBTYROSINALA,B1H3E0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
C4MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
B,I2C930.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.79
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.79
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.79
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.79
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.79
ALEL-EPINEPHRINEA3PAH0.76
ALEL-EPINEPHRINEA2HKK0.76
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.77
TYCL-TYROSINAMIDEA2BF90.7
TYCL-TYROSINAMIDEA2OCI0.7
T333,3'-DEIODO-THYROXINEA,B1THA0.73
IYR3-IODO-TYROSINEA2D980.7
IYR3-IODO-TYROSINEA2D8P0.7
IYR3-IODO-TYROSINEA,B3GFD0.7
IYR3-IODO-TYROSINEA2R1Q0.7
IYR3-IODO-TYROSINEA2ZP10.7
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.7
IYR3-IODO-TYROSINEC1CF00.7
IYR3-IODO-TYROSINEA1XXZ0.7
IYR3-IODO-TYROSINEA2D970.7
IYR3-IODO-TYROSINEA1XY90.7
IYR3-IODO-TYROSINEA2Z100.7
IYR3-IODO-TYROSINEA1WQ30.7
IYR3-IODO-TYROSINEA2D8O0.7
IYR3-IODO-TYROSINEA2D8W0.7
IYR3-IODO-TYROSINEA2Z110.7