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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03101556

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.9
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.9
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid		A,B2QVE0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
ALEL-EPINEPHRINEA3PAH0.75
ALEL-EPINEPHRINEA2HKK0.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
L473-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-
4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL		A,B1YRS0.71
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL		A,B2AN30.73
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE		A,B2FME0.76
2MP3,4-DIMETHYLPHENOLA1L5O0.7
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE		B1BVG0.71
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE		B1MES0.71
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE		A1MET0.71
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE		A,B1QBS0.71
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE		B1BVE0.71
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE		A1MEU0.71
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL		A,B1S3E0.77
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.71
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide		A,B3HYG0.73
OHT4-HYDROXYTAMOXIFENA3ERT0.72
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.72
OHT4-HYDROXYTAMOXIFENA,B1VJB0.72
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.72
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.72
OHT4-HYDROXYTAMOXIFENA2GPU0.72
OHT4-HYDROXYTAMOXIFENA2P7Z0.72
OHT4-HYDROXYTAMOXIFENA,B2BJ40.72
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL		I,T1TMB0.81
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
ESLESTRIOLA1X8V0.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL		A2J7Y0.71
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.77
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B2FAI0.7
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL		A,B2IFR0.71
REN(S)-reticulineA3FWA0.75
REN(S)-reticulineA3D2D0.75
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE		A,B2IEH0.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.72
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL		A,B2AN50.73
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.7
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
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID		A1G3C0.72
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID		A1G3E0.72
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.71
VBZ(1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-
2-aza-bicyclo[2.2.2]octane-4,7,8-
triol		A,B2VO50.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.77
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol		A3FW90.73
TYBTYROSINALA,B1KDZ0.72
TYBTYROSINALA1Q110.72
TYBTYROSINALA,B2J5B0.72
TYBTYROSINALA,I1GA40.72
TYBTYROSINALA,B,C1NLU0.72
TYBTYROSINALA,B1KE10.72
TYBTYROSINALA,B1H3F0.72
TYBTYROSINALA,B1H3E0.72
LNRL-NOREPINEPHRINEA,B2QEO0.74
LNRL-NOREPINEPHRINEA3DYE0.74
LNRL-NOREPINEPHRINEA4PAH0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2J0.71
AEF4-(2-aminoethyl)phenolA3BRA0.74
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.77
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE		A2EW60.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.71
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL		A2F180.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol		A2OF00.71
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
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL		A,B2QGT0.71
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL		A,B2G5O0.71
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE		A,B1Q0B0.72
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE		A,B1X880.72
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL		A2F1B0.72
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.7
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL		A2F1A0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.75
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL		A1YSG0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol		X2W6C0.77
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K		1EV60.71
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM		A,B2C640.81