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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02121428

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.75
T443,5,3',5'-TETRAIODO-L-THYRONINEX1Y0X0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK10.74
T443,5,3',5'-TETRAIODO-L-THYRONINEC,D1ICT0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA2RIW0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2ROX0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1IE40.74
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETB0.74
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETA0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B,C1SN00.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2CEO0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1F860.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK40.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK20.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK50.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK30.74
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.78
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
TL22-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y5A0.74
LDPL-DOPAMINEA,B2A3R0.7
LDPL-DOPAMINEA5PAH0.7
LDPL-DOPAMINEA,B2QMZ0.7
LDPL-DOPAMINEA,B2VQ50.7
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.73
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.72
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.77
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.71
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)
A2VJ80.7
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.73
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.81
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
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.82
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.82
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.82
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.82
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.72
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
A1ZP50.7
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.72
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.76
TL42-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y5U0.74
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.71
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.77
DPDA,B1QIW0.74
DPDA1QIV0.74
AEF4-(2-aminoethyl)phenolA3BRA0.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.73
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.76
TL12,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y590.72
AL9N-[(4-METHOXYPHENYL)METHYL]2,5-
THIOPHENEDESULFONAMIDE
A1BN40.74
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.92
TL32,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y5B0.76
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.8
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.83
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.83
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.79
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.8
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.71
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.74
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.82
DRRA,B3BXR0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.71
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.74
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.83
T333,3'-DEIODO-THYROXINEA,B1THA0.75
3MB3-METHOXYBENZAMIDEA3PAX0.75
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.86
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM
B1UUI0.75