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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02348253

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GNT(-)-GALANTHAMINEA1DX60.72
GNT(-)-GALANTHAMINEA1QTI0.72
GNT(-)-GALANTHAMINEA,B,C,D,E2PH90.72
GNT(-)-GALANTHAMINEA,B1W760.72
GNT(-)-GALANTHAMINEA1W6R0.72
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL		I,T1TMB0.76
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.82
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.82
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL		A2OUZ0.71
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL		A,B2G5O0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.71
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.78
ESLESTRIOLA1X8V0.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL		A2J7Y0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
OHT4-HYDROXYTAMOXIFENA3ERT0.73
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.73
OHT4-HYDROXYTAMOXIFENA,B1VJB0.73
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.73
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.73
OHT4-HYDROXYTAMOXIFENA2GPU0.73
OHT4-HYDROXYTAMOXIFENA2P7Z0.73
OHT4-HYDROXYTAMOXIFENA,B2BJ40.73
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.73
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL		A,B2QGT0.7
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol		A3FW90.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.77
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID		A1G3B0.73
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID		A1G3D0.73
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE		C1A8G0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.78
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B1ZKY0.71
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide		A,B3HYG0.7
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIM0.7
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol		A2OF00.72
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL		A,B1S3E0.74
ESTESTRADIOLA,B1GWR0.73
ESTESTRADIOLA1FDS0.73
ESTESTRADIOLA,B,C1G500.73
ESTESTRADIOLA,B,C,D,E,F1ERE0.73
ESTESTRADIOLA,B1A520.73
ESTESTRADIOLA1FDT0.73
ESTESTRADIOLA2OCF0.73
ESTESTRADIOLA,B,C1QKU0.73
ESTESTRADIOLA,B,C,D,L1E6W0.73
ESTESTRADIOLA1IOL0.73
ESTESTRADIOLH1JNN0.73
ESTESTRADIOLB1QKT0.73
ESTESTRADIOLA1FDW0.73
ESTESTRADIOLA,B1AQU0.73
ESTESTRADIOLA1LHU0.73
ESTESTRADIOLA1A270.73
ESTESTRADIOLL1JGL0.73
ESTESTRADIOLA,B,E,F1PCG0.73
ESTESTRADIOLA,B,C,D1FDU0.73
ESTESTRADIOLA2J7X0.73
ESTESTRADIOLA,B2D060.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL		A,B,C,D1Y0G0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
LNRL-NOREPINEPHRINEA,B2QEO0.74
LNRL-NOREPINEPHRINEA3DYE0.74
LNRL-NOREPINEPHRINEA4PAH0.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
REN(S)-reticulineA3FWA0.71
REN(S)-reticulineA3D2D0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER		A1ILH0.72
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER		A,B1NRL0.72
AEF4-(2-aminoethyl)phenolA3BRA0.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.74
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H		2G0B0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID		A1G3C0.71
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID		A1G3E0.71
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol		X2W6C0.78
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
AOEN-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-
3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-
DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-
7-YL]-N-METHYLUNDECANAMIDE		A1HJ10.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
TOLTOLRESTATA2PDL0.71
TOLTOLRESTATA2FZD0.71
TOLTOLRESTATA2FZB0.71
TOLTOLRESTATA1AH30.71
TOLTOLRESTATX1ZUA0.71
TOLTOLRESTATA1AE40.71
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B2FAI0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE		A,B2FME0.75
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM		A,B2C640.76
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.74
ALEL-EPINEPHRINEA3PAH0.76
ALEL-EPINEPHRINEA2HKK0.76
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL		A2F1B0.7
ARYARYLOMYCIN A2A,B1T7D0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72