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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02903368

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
FP22-fluorophenolA3CPO0.72
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.72
DHCCAFFEIC ACIDA1KOU0.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.75
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
MCT4-METHYLCATECHOLA1L4G0.79
MCT4-METHYLCATECHOLA2EHZ0.79
MCT4-METHYLCATECHOLA,B1DMH0.79
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.7
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.72
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.85
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.71
FFP2,6-DIFLUOROPHENOLA2INX0.71
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.72
MBD3-METHYLCATECHOLA1KNF0.78
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
IPHPHENOLA,B2OLD0.75
IPHPHENOLA,B,C,D2PZV0.75
IPHPHENOLA1LI20.75
IPHPHENOLA2J9N0.75
IPHPHENOLA,B,C,D2OMB0.75
IPHPHENOLA1JHX0.75
IPHPHENOLA,B,C,D2VE70.75
IPHPHENOLB,D,E,G,H,J,L1AI00.75
IPHPHENOLA,B,C,D1FOH0.75
IPHPHENOLA1V030.75
IPHPHENOLA,C,E,G,I,K5AIY0.75
IPHPHENOLB,D,F,H,J,L1AIY0.75
IPHPHENOLA,B1XU50.75
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.75
IPHPHENOLA,C,E,G,I,K4AIY0.75
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.75
IPHPHENOLA2AS30.75
IPHPHENOLA,B,C,D1ZEG0.75
IPHPHENOLA,B,C,D1PN00.75
IPHPHENOLA,B,C,D1XW70.75
IPHPHENOLA,C,E,G,I,K,M1QIY0.75
IPHPHENOLA,B,C,D1Q4V0.75
IPHPHENOLB1AI70.75
IPHPHENOLA1FJW0.75
IPHPHENOLB,C,D1RWE0.75
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.75
IPHPHENOLB,C,D3GKY0.75
IPHPHENOLA1JHY0.75
IPHPHENOLA,C,E,G,I,K3AIY0.75
IPHPHENOLA,B2OMN0.75
IPHPHENOLA,C,E,G,I,K2AIY0.75
IPHPHENOLA,B,D1MPJ0.75
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.75
IPHPHENOLB,C,D1LPH0.75
PCRP-CRESOLA1JHV0.8
PCRP-CRESOLA1JHU0.8
PCRP-CRESOLA,B,C,D1DIQ0.8
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.82
BPYBIPHENYL-2,3-DIOLA1KMY0.74
BPYBIPHENYL-2,3-DIOLB1KW80.74
BPYBIPHENYL-2,3-DIOLA2EI30.74
BPYBIPHENYL-2,3-DIOLA1EIR0.74
BPYBIPHENYL-2,3-DIOLB1KW60.74
BPYBIPHENYL-2,3-DIOLB1KWC0.74
BPYBIPHENYL-2,3-DIOLB1KW90.74
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
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.71
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.71
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.71
RCORESORCINOLA,B,C,D,E,F2OMH0.71
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.71
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.71
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.71
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.71
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
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,D1Y0G0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.79
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
2MP3,4-DIMETHYLPHENOLA1L5O0.79
CRSM-CRESOLA,B,C,D1EV30.83
CRSM-CRESOLA,B,C,D,E,F2OMG0.83
CRSM-CRESOLA,B1UZ90.83
CRSM-CRESOLA,B,C,D1ZEH0.83
CRSM-CRESOLA,B,C,D,E,F1ZEI0.83
CRSM-CRESOLA,C,D,E7INS0.83
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.83
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
ETY4-ethylphenolA,B,C,D2RA60.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.8
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
1NP1-NAPHTHOLX2ZVQ0.73
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.7
FPN4-FLUOROPHENOLA,B1XVD0.72
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.78
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.76
EYK2-tert-butylbenzene-1,4-diolB3EYK0.76
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.76
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.74
2LP2-ALLYLPHENOLA1OV50.78
AEF4-(2-aminoethyl)phenolA3BRA0.77
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
IOL4-IODOPHENOLA,B1EWA0.72
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.71
CAQCATECHOLB2BUY0.72
CAQCATECHOLA1KND0.72
CAQCATECHOLB2BUQ0.72
CAQCATECHOLA,B1DLT0.72
CAQCATECHOLA1XEP0.72
CAQCATECHOLA2PUM0.72
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.74
D1NNAPHTHALENE-1,2-DIOLA2EI10.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72