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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02626159

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.79
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.73
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
142CARBIDOPAA,B1JS30.73
NYSS-{5-[(1R)-2-amino-1-hydroxyethyl]-
2,3-dihydroxyphenyl}-L-cysteine
B2R1V0.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.8
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.84
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.84
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.84
AA63-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-
PHENYL]-2-METHYLAMINO-PROPIONIC ACID
E,I1QR30.71
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.73
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID
A1JIL0.73
REN(S)-reticulineA3FWA0.7
REN(S)-reticulineA3D2D0.7
TYI3,5-DIIODOTYROSINEA2D8W0.7
TYI3,5-DIIODOTYROSINEE,I1CTP0.7
TYI3,5-DIIODOTYROSINEA2D970.7
TYI3,5-DIIODOTYROSINEA2AXE0.7
TYI3,5-DIIODOTYROSINEA2D8O0.7
TYI3,5-DIIODOTYROSINEA,B2VLW0.7
TYI3,5-DIIODOTYROSINEA,B2C3V0.7
TYI3,5-DIIODOTYROSINEA2D980.7
TYI3,5-DIIODOTYROSINEA2NOO0.7
TYI3,5-DIIODOTYROSINEA2D8P0.7
TYI3,5-DIIODOTYROSINEA,B,C,D,E,F,
G,H
3GH80.7
TYI3,5-DIIODOTYROSINEA,B,C,D1L0S0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.72
IYTN-ALPHA-ACETYL-3,5-DIIODOTYROSYL-
D-THREONINE
A1SDW0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.84
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.84
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.84
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.84
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.84
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.75
LDPL-DOPAMINEA,B2A3R0.85
LDPL-DOPAMINEA5PAH0.85
LDPL-DOPAMINEA,B2QMZ0.85
LDPL-DOPAMINEA,B2VQ50.85
629[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID
A1JIJ0.73
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.71
YOF3-FLUOROTYROSINEA,B1XIL0.72
YOF3-FLUOROTYROSINEA,B1XDC0.72
YOF3-FLUOROTYROSINEA1RRX0.72
YOF3-FLUOROTYROSINEA,B3FYG0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.76
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.76
DYSS-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-
L-cysteine
B2R1T0.71
AEF4-(2-aminoethyl)phenolA3BRA0.76
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
MBD3-METHYLCATECHOLA1KNF0.72
TY33-HYDROXY-L-TYROSINEA,B2VH30.8
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.71
ALEL-EPINEPHRINEA3PAH0.97
ALEL-EPINEPHRINEA2HKK0.97
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.73
CJO[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-
4-(4-hydroxybenzyl)-5-oxoimidazolidin-
1-yl]acetic acid
A2QT20.7
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.72
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
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.8
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.8
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.8
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
LNRL-NOREPINEPHRINEA,B2QEO0.92
LNRL-NOREPINEPHRINEA3DYE0.92
LNRL-NOREPINEPHRINEA4PAH0.92
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
TYCL-TYROSINAMIDEA2BF90.73
TYCL-TYROSINAMIDEA2OCI0.73
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.76
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.71
CMQN~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-
2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-
L-LEUCINAMIDE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2FZS0.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C1L6M0.7
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3CBC0.7
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3BY00.7
545[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER
A1JIK0.71
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
IYR3-IODO-TYROSINEA2D980.72
IYR3-IODO-TYROSINEA2D8P0.72
IYR3-IODO-TYROSINEA,B3GFD0.72
IYR3-IODO-TYROSINEA2R1Q0.72
IYR3-IODO-TYROSINEA2ZP10.72
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.72
IYR3-IODO-TYROSINEC1CF00.72
IYR3-IODO-TYROSINEA1XXZ0.72
IYR3-IODO-TYROSINEA2D970.72
IYR3-IODO-TYROSINEA1XY90.72
IYR3-IODO-TYROSINEA2Z100.72
IYR3-IODO-TYROSINEA1WQ30.72
IYR3-IODO-TYROSINEA2D8O0.72
IYR3-IODO-TYROSINEA2D8W0.72
IYR3-IODO-TYROSINEA2Z110.72
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.7
MTYMETA-TYROSINEA2TOH0.76
MTYMETA-TYROSINEA,B1BIQ0.76
MTYMETA-TYROSINEA1Q7O0.76
DTYD-TYROSINEA1C4B0.74
DTYD-TYROSINEA,L1ZEA0.74
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.74
DTYD-TYROSINEA,B1UNO0.74
DTYD-TYROSINEA2IGZ0.74
DTYD-TYROSINEA,B,C,H,K,L2R5D0.74
DTYD-TYROSINEA,B2Q330.74
DTYD-TYROSINEH,S2H9E0.74
DTYD-TYROSINEA,B,C,H,K,L2R5B0.74
DTYD-TYROSINEA2IH00.74
DTYD-TYROSINEA1D7T0.74
DTYD-TYROSINEA,B1XA00.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.7
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.71
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.73
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.76
TYBTYROSINALA,B1KDZ0.75
TYBTYROSINALA1Q110.75
TYBTYROSINALA,B2J5B0.75
TYBTYROSINALA,I1GA40.75
TYBTYROSINALA,B,C1NLU0.75
TYBTYROSINALA,B1KE10.75
TYBTYROSINALA,B1H3F0.75
TYBTYROSINALA,B1H3E0.75
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.75
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.75