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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03194182

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER		H1UVU0.76
REN(S)-reticulineA3FWA0.72
REN(S)-reticulineA3D2D0.72
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.73
NMB2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-
PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-
4,5-DIOL		A1AJV0.72
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine		A2VIN0.72
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.81
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.81
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIM0.75
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		2FZS0.7
AGGTIROFIBANA,B2VDM0.7
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
LK2N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
D-GLUTAMIC ACID		A2JFF0.72
BBB1-((2-HYDROXYETHOXY)METHYL)-5-(3-
(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-
2,4(1H,3H)-DIONE		A,B,C,D,E,F1U1G0.71
G05(4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-
6-yl [(1S,2R)-1-benzyl-2-hydroxy-
3-{[(4-methoxyphenyl)sulfonyl](2-
methylpropyl)amino}propyl]carbamate		A,B3DK10.7
HBBN-{(2R)-2-HYDROXY-2-[(8S,11S)-8-
ISOPROPYL-6,9-DIOXO-2-OXA-7,10-
DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-
TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE		A,B1Z1H0.71
OHT4-HYDROXYTAMOXIFENA3ERT0.75
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.75
OHT4-HYDROXYTAMOXIFENA,B1VJB0.75
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.75
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.75
OHT4-HYDROXYTAMOXIFENA2GPU0.75
OHT4-HYDROXYTAMOXIFENA2P7Z0.75
OHT4-HYDROXYTAMOXIFENA,B2BJ40.75
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.75
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,B1B6P0.75
0EZtert-butyl [(1S,2S)-1-benzyl-2-
hydroxy-3-{[(8S,11R)-8-[(1R)-1-
methylpropyl]-7,10-dioxo-2-oxa-
6,9-diazabicyclo[11.2.2]heptadeca-
1(15),13,16-trien-11-yl]amino}propyl]carbamate		A,B1MTR0.73
INZ2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-
2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-
3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID		A1G7F0.71
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol		A3FW90.71
PI41-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-
2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14-TRIEN-11-YL)-2-
HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE		A,B1B6L0.71
LK3N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-
D-GLUTAMIC ACID		A2UUO0.72
C4MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE		B,I2C930.72
DRRA,B3BXR0.72
PI8N-13-[(10S,13S)-9,12-DIOXO-10-(2-
BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-
15,17,18-TRIENE] (2R)-BENZYL-(4S)-
HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-
(2S)-INDANEAMIDE		A,B1D4K0.73
C41ALISKIRENC,O2V0Z0.74
PI1A,B1B6J0.7
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE		C,O2V100.75
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE		B1UUD0.72
S2AA2OEY0.7
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.72
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL		A2OUZ0.8
B76A,B2E9D0.7
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3R0.9
1831-((2-HYDROXYETHOXY)METHYL)-5-(3-
(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-
DIONE		A,B,C,D,E,F1U1F0.7
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.81
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.81
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.81
PI5N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14- TRIEN-11-YLAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL)-
PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-
1-YL)-BUTYRAMIDE		A,B1B6K0.74
4422-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-
PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-
1,1-DIOL		A1R6G0.7
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3I0.9
ROLROLIPRAMA,B,C,D1OYN0.74
ROLROLIPRAMA,B1XMY0.74
ROLROLIPRAMA,B,C,D1Q9M0.74
ROLROLIPRAMA,B1RO60.74
ROLROLIPRAMA,B1XN00.74
ROLROLIPRAMA,B1TBB0.74
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.7
PI6[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-
2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YLAMINO)-
2-HYDROXY-PROPYL] -CARBAMIC ACID TERT-
BUTYL ESTER		A,B1B6M0.73
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.77
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one		A,B1XM60.71
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER		A1LHW0.7
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM		A1FJ50.78
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE		A,B1XN00.74
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL		X1H460.82
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.73
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.73
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.8
3A3A2CGU0.7
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.71
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.74
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL		A1DY40.95
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.8
DPDA,B1QIW0.77
DPDA1QIV0.77
TOLTOLRESTATA2PDL0.71
TOLTOLRESTATA2FZD0.71
TOLTOLRESTATA2FZB0.71
TOLTOLRESTATA1AH30.71
TOLTOLRESTATX1ZUA0.71
TOLTOLRESTATA1AE40.71
LK1N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
L-GLUTAMIC ACID		A2JFH0.72
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIN0.72
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid		A,B3BXS0.71
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA		A1ZP50.71
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.75
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol		A2OF00.79
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.71
ALEL-EPINEPHRINEA3PAH0.71
ALEL-EPINEPHRINEA2HKK0.71
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.7
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.74
NOANAPHTHYLOXYACETIC ACIDI1IVP0.74
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE		A2EW50.73
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.73
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL		A,B1JP30.71
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL		A2W220.71
MOI(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-
HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-
E]ISOQUINOLINE-7,9-DIOL		H,L1Q0Y0.71
9971-[3,3-DIMETHYL-2-(2-METHYLAMINO-
PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-
PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-
TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE		A1TFT0.72