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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01714032

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1831-((2-HYDROXYETHOXY)METHYL)-5-(3-
(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-
DIONE
A,B,C,D,E,F1U1F0.71
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,B1D4K0.72
XN3N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(BENZO[1,3]DIOXOL-5-YLMETHYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B1K6P0.74
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE
A1EVE0.75
UIZ(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE
A1YP90.73
XN2N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-
4(BENZO[1,3]DIOXOL-5-YLMETHYL)-
PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-
PENTANAMIDE
A,B1K6V0.74
UIR(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
A1Y3V0.73
UIR(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
H,I1YPG0.73
UIR(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
A1Y3Y0.73
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.71
BBB1-((2-HYDROXYETHOXY)METHYL)-5-(3-
(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-
2,4(1H,3H)-DIONE
A,B,C,D,E,F1U1G0.71
CX62,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-
G]PYRROLO[2,1-B][1,3]BENZOXAZIN-
11-ONE
A,B,C,D,E,F2AL40.76
GGO(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-
5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-
2-ONE
B2OQI0.76
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.77
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
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE
C,O2V100.74
DRRA,B3BXR0.72
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.81
UIQ(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
A1Y3U0.74
3484-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-
2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4-
A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE
H2CF90.71
UIB(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-
5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-
6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-
1-YL}-BENZAMIDINE
H,I1YPJ0.76
UIB(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-
5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-
6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-
1-YL}-BENZAMIDINE
A1Y3X0.76
C41ALISKIRENC,O2V0Z0.74
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,B1B6K0.71
GNT(-)-GALANTHAMINEA1DX60.73
GNT(-)-GALANTHAMINEA1QTI0.73
GNT(-)-GALANTHAMINEA,B,C,D,E2PH90.73
GNT(-)-GALANTHAMINEA,B1W760.73
GNT(-)-GALANTHAMINEA1W6R0.73
2FF(5-(aminomethyl)-2H-spiro[benzofuran-
3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-
2-yl)methanone
A,B,C,D2ZA50.7
GL8GALANTHAMINE DERIVATIVEA1W4L0.76
REN(S)-reticulineA3FWA0.73
REN(S)-reticulineA3D2D0.73
ROLROLIPRAMA,B,C,D1OYN0.81
ROLROLIPRAMA,B1XMY0.81
ROLROLIPRAMA,B,C,D1Q9M0.81
ROLROLIPRAMA,B1RO60.81
ROLROLIPRAMA,B1XN00.81
ROLROLIPRAMA,B1TBB0.81
AAU(5R,6R)-5-BENZYL-6-HYDROXY-2,4-
BIS(4-HYDROXY-3-METHOXYBENZYL)-
1-[3-(4-HYDROXYPHENYL)PROPANOYL]-
1,2,4-TRIAZEPAN-3-ONE
B2A4F0.72
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER
H1UVU0.7
H24(6S)-2-amino-6-(3'-methoxybiphenyl-
3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-
4(3H)-one
A2VA60.7
11M1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-
1-yl]carbonyl}spiro[1-benzofuran-
3,4'-piperidin]-5-yl)methanamine
A,B,C,D2ZEB0.7
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.72
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.75
C01(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-
3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-
1,2-BENZISOXAZOL-6-YL)OXY]ACETATE
A1ZEO0.7
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.71
DPDA,B1QIW0.75
DPDA1QIV0.75
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.7
SHY4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-
5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-
A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE
H1VZQ0.72
EH5N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-
DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-
[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-
5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-
4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE
A1LF30.74
NHNA,C2GVF0.76
K214-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-
7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-
BENZOTHIAZEPINE
A,B1HAK0.7
HQQ5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-
2,4,6-TRIONE
A,B,C1G4K0.71
AB8(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-
HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-
2-OXOETHYL]-2-OXO-1,3-OXAZINAN-
6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-
HEXAHYDRONAPHTHALEN-1-YL (2R)-2-
METHYLBUTANOATE
A,B1XDG0.76
PI1A,B1B6J0.71
DEOA,B1ROS0.79
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.75
UIP(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
H,I1YPE0.74
UIP(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
A1Y3W0.74
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