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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00067997

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BPYBIPHENYL-2,3-DIOLA1KMY0.78
BPYBIPHENYL-2,3-DIOLB1KW80.78
BPYBIPHENYL-2,3-DIOLA2EI30.78
BPYBIPHENYL-2,3-DIOLA1EIR0.78
BPYBIPHENYL-2,3-DIOLB1KW60.78
BPYBIPHENYL-2,3-DIOLB1KWC0.78
BPYBIPHENYL-2,3-DIOLB1KW90.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.71
CUP(N-SALICYLIDEN-L-PHENYLALANATO)-
COPPER(II)
A2EB80.71
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.73
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
L473-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-
4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL
A,B1YRS0.71
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.71
ALEL-EPINEPHRINEA3PAH0.73
ALEL-EPINEPHRINEA2HKK0.73
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.76
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.81
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.81
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.76
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.78
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.78
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.78
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.77
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.82
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.72
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.72
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.72
1NP1-NAPHTHOLX2ZVQ0.71
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.72
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.72
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.73
TY33-HYDROXY-L-TYROSINEA,B2VH30.72
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.71
LNRL-NOREPINEPHRINEA,B2QEO0.74
LNRL-NOREPINEPHRINEA3DYE0.74
LNRL-NOREPINEPHRINEA4PAH0.74
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.71
D1NNAPHTHALENE-1,2-DIOLA2EI10.75
REN(S)-reticulineA3FWA0.71
REN(S)-reticulineA3D2D0.71
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.8
LDPL-DOPAMINEA,B2A3R0.79
LDPL-DOPAMINEA5PAH0.79
LDPL-DOPAMINEA,B2QMZ0.79
LDPL-DOPAMINEA,B2VQ50.79
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.7
MCT4-METHYLCATECHOLA1L4G0.74
MCT4-METHYLCATECHOLA2EHZ0.74
MCT4-METHYLCATECHOLA,B1DMH0.74
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.7
2LP2-ALLYLPHENOLA1OV50.7
MBD3-METHYLCATECHOLA1KNF0.76
AEF4-(2-aminoethyl)phenolA3BRA0.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73