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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00837223

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4CR(1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-
N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-
1-AMINIUM		A,B2C650.72
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.79
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.7
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine		A2VIN0.7
AIH(2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-
1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL		A1XP10.71
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol		A2OF00.73
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE		A,B2AOT0.73
AIU(2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-
1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL		A1XP60.71
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine		A,B,C,D2ZEC0.73
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE		B166D0.7
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.74
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM		A1FJ50.76
GNT(-)-GALANTHAMINEA1DX60.74
GNT(-)-GALANTHAMINEA1QTI0.74
GNT(-)-GALANTHAMINEA,B,C,D,E2PH90.74
GNT(-)-GALANTHAMINEA,B1W760.74
GNT(-)-GALANTHAMINEA1W6R0.74
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.75
T1D5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-
THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE		A2BGD0.7
AHF2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-
7-(4-HYDROXYMETHYL-BENZYL)-1,1-
DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-
[1,2,7]THIADIAZEPANE-4,5-DIOL		B1G350.71
REN(S)-reticulineA3FWA0.74
REN(S)-reticulineA3D2D0.74
AH1AHA001A1AJX0.72
NHNA,C2GVF0.7
NMB2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-
PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-
4,5-DIOL		A1AJV0.74
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.75
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIM0.77
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one		A,B1XM60.75
DRRA,B3BXR0.7
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE		B1UUD0.72
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide		A2ZJI0.71
OHT4-HYDROXYTAMOXIFENA3ERT0.76
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.76
OHT4-HYDROXYTAMOXIFENA,B1VJB0.76
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.76
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.76
OHT4-HYDROXYTAMOXIFENA2GPU0.76
OHT4-HYDROXYTAMOXIFENA2P7Z0.76
OHT4-HYDROXYTAMOXIFENA,B2BJ40.76
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.76
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.71
AIT(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-
{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL		A1XPC0.73
9971-[3,3-DIMETHYL-2-(2-METHYLAMINO-
PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-
PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-
TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE		A1TFT0.73
PTI2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-
ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-6-OL		A1UOM0.71
BS2(3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-
DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE		A,D,E2W8G0.7
TL32,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL		T1Y5B0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.71
DPDA,B1QIW0.75
DPDA1QIV0.75
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER		H1UVU0.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.74
R23METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-
PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-
(4-CHLOROPHENYL)-ESTER		A,B,C1O790.71
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.73
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.75
TOLTOLRESTATA2PDL0.71
TOLTOLRESTATA2FZD0.71
TOLTOLRESTATA2FZB0.71
TOLTOLRESTATA1AH30.71
TOLTOLRESTATX1ZUA0.71
TOLTOLRESTATA1AE40.71
AIJ(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-
{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL		A1XP90.73
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE		C1A8G0.72
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL		A2OUZ0.75
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIN0.72
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL		A1DY40.72
BS1(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE		A,F2W8F0.72
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol		A3FW90.72
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,B1B6K0.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.73
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.75
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.75