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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02339992

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MCT4-METHYLCATECHOLA1L4G0.79
MCT4-METHYLCATECHOLA2EHZ0.79
MCT4-METHYLCATECHOLA,B1DMH0.79
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.78
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.77
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.74
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.74
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.74
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.74
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.75
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.72
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.76
CRSM-CRESOLA,B,C,D1EV30.72
CRSM-CRESOLA,B,C,D,E,F2OMG0.72
CRSM-CRESOLA,B1UZ90.72
CRSM-CRESOLA,B,C,D1ZEH0.72
CRSM-CRESOLA,B,C,D,E,F1ZEI0.72
CRSM-CRESOLA,C,D,E7INS0.72
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.72
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.74
DHCCAFFEIC ACIDA1KOU0.74
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.77
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.76
2MP3,4-DIMETHYLPHENOLA1L5O0.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
LNRL-NOREPINEPHRINEA,B2QEO0.79
LNRL-NOREPINEPHRINEA3DYE0.79
LNRL-NOREPINEPHRINEA4PAH0.79
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
LDPL-DOPAMINEA,B2A3R0.84
LDPL-DOPAMINEA5PAH0.84
LDPL-DOPAMINEA,B2QMZ0.84
LDPL-DOPAMINEA,B2VQ50.84
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.72
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.7
STLRESVERATROLA,B3CKL0.74
STLRESVERATROLA,B,C,D1U0W0.74
STLRESVERATROLA1CGZ0.74
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.74
STLRESVERATROLA1Z1F0.74
STLRESVERATROLA1DVS0.74
STLRESVERATROLA,B1SG00.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.75
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.82
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.77
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
BPYBIPHENYL-2,3-DIOLA1KMY0.8
BPYBIPHENYL-2,3-DIOLB1KW80.8
BPYBIPHENYL-2,3-DIOLA2EI30.8
BPYBIPHENYL-2,3-DIOLA1EIR0.8
BPYBIPHENYL-2,3-DIOLB1KW60.8
BPYBIPHENYL-2,3-DIOLB1KWC0.8
BPYBIPHENYL-2,3-DIOLB1KW90.8
TY33-HYDROXY-L-TYROSINEA,B2VH30.74
ETY4-ethylphenolA,B,C,D2RA60.73
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.74
1NP1-NAPHTHOLX2ZVQ0.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.75
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.7
MBD3-METHYLCATECHOLA1KNF0.76
AEF4-(2-aminoethyl)phenolA3BRA0.78
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.76
ALEL-EPINEPHRINEA3PAH0.76
ALEL-EPINEPHRINEA2HKK0.76
D1NNAPHTHALENE-1,2-DIOLA2EI10.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
2LP2-ALLYLPHENOLA1OV50.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.72