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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00719091

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.73
C41ALISKIRENC,O2V0Z0.7
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)
A2VJ80.73
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.74
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.7
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.73
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE
C,O2V100.72
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.71
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.8
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.82
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
DRRA,B3BXR0.75
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.71
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.71
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,B3BXS0.73
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.91
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.76
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.76
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.77
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.77
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.77
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.74
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.78
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.7
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.85
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.78
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.7
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.85
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
A1ZP50.72
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.74
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.7
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.77
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.8
TRTFRAGMENT OF TRITON X-100A,E2I0U0.75
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.75
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,B1B6P0.71
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
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.75
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
A2B5J0.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.7
DPDA,B1QIW0.75
DPDA1QIV0.75
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.71
AGGTIROFIBANA,B2VDM0.71
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.74
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.84
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.76
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE
A1FBL0.73
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.75
ROLROLIPRAMA,B,C,D1OYN0.72
ROLROLIPRAMA,B1XMY0.72
ROLROLIPRAMA,B,C,D1Q9M0.72
ROLROLIPRAMA,B1RO60.72
ROLROLIPRAMA,B1XN00.72
ROLROLIPRAMA,B1TBB0.72
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.7
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,F2W8F0.7
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.71
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJI0.7
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.72
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
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM
B1UUI0.75