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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03143929

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
629[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID		A1JIJ0.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B1MTC0.71
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B5FWG0.71
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B2PGT0.71
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B3FYG0.71
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B3GST0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2I0.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2J0.72
MTYMETA-TYROSINEA2TOH0.74
MTYMETA-TYROSINEA,B1BIQ0.74
MTYMETA-TYROSINEA1Q7O0.74
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL		A2OUZ0.76
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM		A1FJ50.71
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.72
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
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR		A1QF00.73
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
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
IYTN-ALPHA-ACETYL-3,5-DIIODOTYROSYL-
D-THREONINE		A1SDW0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.76
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE		A,B,C,D2BW70.71
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3I0.78
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3R0.78
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol		A3FW90.71
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.7
ESTESTRADIOLA,B1GWR0.74
ESTESTRADIOLA1FDS0.74
ESTESTRADIOLA,B,C1G500.74
ESTESTRADIOLA,B,C,D,E,F1ERE0.74
ESTESTRADIOLA,B1A520.74
ESTESTRADIOLA1FDT0.74
ESTESTRADIOLA2OCF0.74
ESTESTRADIOLA,B,C1QKU0.74
ESTESTRADIOLA,B,C,D,L1E6W0.74
ESTESTRADIOLA1IOL0.74
ESTESTRADIOLH1JNN0.74
ESTESTRADIOLB1QKT0.74
ESTESTRADIOLA1FDW0.74
ESTESTRADIOLA,B1AQU0.74
ESTESTRADIOLA1LHU0.74
ESTESTRADIOLA1A270.74
ESTESTRADIOLL1JGL0.74
ESTESTRADIOLA,B,E,F1PCG0.74
ESTESTRADIOLA,B,C,D1FDU0.74
ESTESTRADIOLA2J7X0.74
ESTESTRADIOLA,B2D060.74
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide		A,B3HYG0.77
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM		A,B2C640.7
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		2FZS0.75
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE		A2EW60.75
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIM0.7
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL		A,B2G5O0.72
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL		A,B2QGT0.72
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
098(3R)-N~2~-(cyclopropylmethyl)-N~1~-
hydroxy-3-(3-hydroxybenzyl)-N~4~-
[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]-L-aspartamide		A,B3HY90.73
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.72
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.72
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.72
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.7
TYCL-TYROSINAMIDEA2BF90.71
TYCL-TYROSINAMIDEA2OCI0.71
REN(S)-reticulineA3FWA0.73
REN(S)-reticulineA3D2D0.73
IYR3-IODO-TYROSINEA2D980.71
IYR3-IODO-TYROSINEA2D8P0.71
IYR3-IODO-TYROSINEA,B3GFD0.71
IYR3-IODO-TYROSINEA2R1Q0.71
IYR3-IODO-TYROSINEA2ZP10.71
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.71
IYR3-IODO-TYROSINEC1CF00.71
IYR3-IODO-TYROSINEA1XXZ0.71
IYR3-IODO-TYROSINEA2D970.71
IYR3-IODO-TYROSINEA1XY90.71
IYR3-IODO-TYROSINEA2Z100.71
IYR3-IODO-TYROSINEA1WQ30.71
IYR3-IODO-TYROSINEA2D8O0.71
IYR3-IODO-TYROSINEA2D8W0.71
IYR3-IODO-TYROSINEA2Z110.71
TY33-HYDROXY-L-TYROSINEA,B2VH30.72
PI7N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL) -
PROPYL]-3-METHYL-2-PROPIONYLAMINO-
BUTYRAMIDE		A,B1B6P0.71
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.71
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol		X2W6C0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.72
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.72
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE		A,B2FME0.72
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
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
ALEL-EPINEPHRINEA3PAH0.82
ALEL-EPINEPHRINEA2HKK0.82
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
LDPL-DOPAMINEA,B2A3R0.76
LDPL-DOPAMINEA5PAH0.76
LDPL-DOPAMINEA,B2QMZ0.76
LDPL-DOPAMINEA,B2VQ50.76
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL		A,B2AN30.8
AEF4-(2-aminoethyl)phenolA3BRA0.75
DPDA,B1QIW0.73
DPDA1QIV0.73
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
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione		A3G5H0.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.79
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.79
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.79
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.71
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
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H		2G0B0.74
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B2GST0.71
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSW0.71
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSV0.71
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A1B4P0.71
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSX0.71
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSU0.71
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL		A1DY40.78
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.71
TYBTYROSINALA,B1KDZ0.73
TYBTYROSINALA1Q110.73
TYBTYROSINALA,B2J5B0.73
TYBTYROSINALA,I1GA40.73
TYBTYROSINALA,B,C1NLU0.73
TYBTYROSINALA,B1KE10.73
TYBTYROSINALA,B1H3F0.73
TYBTYROSINALA,B1H3E0.73
YOF3-FLUOROTYROSINEA,B1XIL0.71
YOF3-FLUOROTYROSINEA,B1XDC0.71
YOF3-FLUOROTYROSINEA1RRX0.71
YOF3-FLUOROTYROSINEA,B3FYG0.71
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
LNRL-NOREPINEPHRINEA,B2QEO0.78
LNRL-NOREPINEPHRINEA3DYE0.78
LNRL-NOREPINEPHRINEA4PAH0.78
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL		A1YSG0.71
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL		A,B2AN50.8
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL		A2J7Y0.72
ARYARYLOMYCIN A2A,B1T7D0.71
1NP1-NAPHTHOLX2ZVQ0.7
ESLESTRIOLA1X8V0.72