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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03465506

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
MBD3-METHYLCATECHOLA1KNF0.74
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.74
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.74
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.74
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
BPYBIPHENYL-2,3-DIOLA1KMY0.73
BPYBIPHENYL-2,3-DIOLB1KW80.73
BPYBIPHENYL-2,3-DIOLA2EI30.73
BPYBIPHENYL-2,3-DIOLA1EIR0.73
BPYBIPHENYL-2,3-DIOLB1KW60.73
BPYBIPHENYL-2,3-DIOLB1KWC0.73
BPYBIPHENYL-2,3-DIOLB1KW90.73
4CR(1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-
N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-
1-AMINIUM
A,B2C650.74
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.7
MTYMETA-TYROSINEA2TOH0.7
MTYMETA-TYROSINEA,B1BIQ0.7
MTYMETA-TYROSINEA1Q7O0.7
ALEL-EPINEPHRINEA3PAH0.77
ALEL-EPINEPHRINEA2HKK0.77
AEF4-(2-aminoethyl)phenolA3BRA0.71
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.86
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.75
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
REN(S)-reticulineA3FWA0.79
REN(S)-reticulineA3D2D0.79
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.72
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.7
LNRL-NOREPINEPHRINEA,B2QEO0.75
LNRL-NOREPINEPHRINEA3DYE0.75
LNRL-NOREPINEPHRINEA4PAH0.75
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.7
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.71
2MP3,4-DIMETHYLPHENOLA1L5O0.71
D1NNAPHTHALENE-1,2-DIOLA2EI10.73
GNT(-)-GALANTHAMINEA1DX60.71
GNT(-)-GALANTHAMINEA1QTI0.71
GNT(-)-GALANTHAMINEA,B,C,D,E2PH90.71
GNT(-)-GALANTHAMINEA,B1W760.71
GNT(-)-GALANTHAMINEA1W6R0.71
TY33-HYDROXY-L-TYROSINEA,B2VH30.74
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.7
LDPL-DOPAMINEA,B2A3R0.8
LDPL-DOPAMINEA5PAH0.8
LDPL-DOPAMINEA,B2QMZ0.8
LDPL-DOPAMINEA,B2VQ50.8
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.78
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.86
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.86
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.83
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.84
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.72