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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02361648

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.91
TL22-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y5A0.84
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM
B1UUI0.76
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.74
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.7
3MB3-METHOXYBENZAMIDEA3PAX0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.92
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.92
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.73
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.75
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.7
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.75
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.74
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.93
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME
A,B1XLZ0.73
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.75
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.91
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.91
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.91
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.91
TL42-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y5U0.84
H24(6S)-2-amino-6-(3'-methoxybiphenyl-
3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-
4(3H)-one
A2VA60.7
TL12,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y590.86
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.71
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.82
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.71
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.71
GP81-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREAA1BJV0.74
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID
A1MTV0.7
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID
A1MTU0.7
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID
A1MTS0.7
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.71
BPF2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURANA,B360D0.77
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.76
TL32,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y5B0.82
6233,3'-[3,5-DIFLUORO-4-METHYL-2,6-
PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE)
A1QB60.71
DPDA,B1QIW0.72
DPDA1QIV0.72
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.73
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.73
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.71
1676-CARBAMIMIDOYL-2-[2-HYDROXY-5-
(3-METHOXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ60.72