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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02446275

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.75
OHT4-HYDROXYTAMOXIFENA3ERT0.7
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.7
OHT4-HYDROXYTAMOXIFENA,B1VJB0.7
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.7
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.7
OHT4-HYDROXYTAMOXIFENA2GPU0.7
OHT4-HYDROXYTAMOXIFENA2P7Z0.7
OHT4-HYDROXYTAMOXIFENA,B2BJ40.7
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.7
2MP3,4-DIMETHYLPHENOLA1L5O0.77
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.7
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.77
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.77
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.72
MBD3-METHYLCATECHOLA1KNF0.75
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.75
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.71
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.71
SS2(1R)-1-PHENYLETHANOLA1ZJY0.71
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.71
TYBTYROSINALA,B1KDZ0.71
TYBTYROSINALA1Q110.71
TYBTYROSINALA,B2J5B0.71
TYBTYROSINALA,I1GA40.71
TYBTYROSINALA,B,C1NLU0.71
TYBTYROSINALA,B1KE10.71
TYBTYROSINALA,B1H3F0.71
TYBTYROSINALA,B1H3E0.71
ANN4-METHOXYBENZOIC ACIDA2B960.73
ANN4-METHOXYBENZOIC ACIDA2QUE0.73
ANN4-METHOXYBENZOIC ACIDA1SV30.73
ANN4-METHOXYBENZOIC ACIDA1O2E0.73
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.73
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.73
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.78
CRSM-CRESOLA,B,C,D1EV30.77
CRSM-CRESOLA,B,C,D,E,F2OMG0.77
CRSM-CRESOLA,B1UZ90.77
CRSM-CRESOLA,B,C,D1ZEH0.77
CRSM-CRESOLA,B,C,D,E,F1ZEI0.77
CRSM-CRESOLA,C,D,E7INS0.77
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.77
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.77
ETY4-ethylphenolA,B,C,D2RA60.8
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.72
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.78
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.73
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
PCRP-CRESOLA1JHV0.8
PCRP-CRESOLA1JHU0.8
PCRP-CRESOLA,B,C,D1DIQ0.8
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.73
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
HC4A1TS60.75
HC4A3PHY0.75
HC4A3PYP0.75
HC4A1T1C0.75
HC4A1OT60.75
HC4A1TS00.75
HC4A1T1A0.75
HC4A2PYP0.75
HC4A2ZOI0.75
HC4A1OTI0.75
HC4A1XFQ0.75
HC4A2D010.75
HC4A,B,C,D,E,F,
G,H
2O7B0.75
HC4A2ZOH0.75
HC4A1GSW0.75
HC4A2QJ70.75
HC4A1F9I0.75
HC4X1UWP0.75
HC4A2PHY0.75
HC4A1T1B0.75
HC4A1F980.75
HC4A1T190.75
HC4X1UWN0.75
HC4A,B,C,D,E,F,
G,H
2O7F0.75
HC4A1UGU0.75
HC4A1TS80.75
HC4A,B1OTD0.75
HC4A1OTE0.75
HC4A1GSX0.75
HC4A1TS70.75
HC4A2PYR0.75
HC4A1S4S0.75
HC4A1GSV0.75
HC4A2I9V0.75
HC4A2QWS0.75
HC4A1XFN0.75
HC4A1S4R0.75
HC4A1T180.75
HC4A1OTA0.75
HC4A1D7E0.75
HC4A1S1Z0.75
HC4A,B,C1MZU0.75
HC4A,B1ODV0.75
HC4A,B2J3J0.75
HC4A2QJ50.75
HC4A1OTB0.75
HC4A2D020.75
HC4A1OT90.75
HC4A1NWZ0.75
HC4A1S1Y0.75
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
STLRESVERATROLA,B3CKL0.76
STLRESVERATROLA,B,C,D1U0W0.76
STLRESVERATROLA1CGZ0.76
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.76
STLRESVERATROLA1Z1F0.76
STLRESVERATROLA1DVS0.76
STLRESVERATROLA,B1SG00.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.76
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.73
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.72
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.72
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.72
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.72
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.73
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.73
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.75
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.72
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
M07(5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-
3-(4-METHOXYPHENYL)-1,6-DIOXA-2-
AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL
A2QRG0.72
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.75
SS11-PHENYLETHANOLH1UM50.71
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
LNRL-NOREPINEPHRINEA,B2QEO0.73
LNRL-NOREPINEPHRINEA3DYE0.73
LNRL-NOREPINEPHRINEA4PAH0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.74
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.7
SXXSINAPINATEA,B1WB40.71
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.79
2LP2-ALLYLPHENOLA1OV50.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.78
AEF4-(2-aminoethyl)phenolA3BRA0.77
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.79
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.74
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.76
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.77
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.75
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.75
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.73
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.76
1NP1-NAPHTHOLX2ZVQ0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77
MCT4-METHYLCATECHOLA1L4G0.75
MCT4-METHYLCATECHOLA2EHZ0.75
MCT4-METHYLCATECHOLA,B1DMH0.75