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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02260594

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.73
MTYMETA-TYROSINEA2TOH0.73
MTYMETA-TYROSINEA,B1BIQ0.73
MTYMETA-TYROSINEA1Q7O0.73
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.7
ALEL-EPINEPHRINEA3PAH0.75
ALEL-EPINEPHRINEA2HKK0.75
LDPL-DOPAMINEA,B2A3R0.77
LDPL-DOPAMINEA5PAH0.77
LDPL-DOPAMINEA,B2QMZ0.77
LDPL-DOPAMINEA,B2VQ50.77
MBD3-METHYLCATECHOLA1KNF0.74
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
CRSM-CRESOLA,B,C,D1EV30.75
CRSM-CRESOLA,B,C,D,E,F2OMG0.75
CRSM-CRESOLA,B1UZ90.75
CRSM-CRESOLA,B,C,D1ZEH0.75
CRSM-CRESOLA,B,C,D,E,F1ZEI0.75
CRSM-CRESOLA,C,D,E7INS0.75
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
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,D1Y0G0.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
2LP2-ALLYLPHENOLA1OV50.76
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
2MP3,4-DIMETHYLPHENOLA1L5O0.73
YOF3-FLUOROTYROSINEA,B1XIL0.7
YOF3-FLUOROTYROSINEA,B1XDC0.7
YOF3-FLUOROTYROSINEA1RRX0.7
YOF3-FLUOROTYROSINEA,B3FYG0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.78
STLRESVERATROLA,B3CKL0.71
STLRESVERATROLA,B,C,D1U0W0.71
STLRESVERATROLA1CGZ0.71
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.71
STLRESVERATROLA1Z1F0.71
STLRESVERATROLA1DVS0.71
STLRESVERATROLA,B1SG00.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.77
EYK2-tert-butylbenzene-1,4-diolB3EYK0.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.77
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.73
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
TYCL-TYROSINAMIDEA2BF90.74
TYCL-TYROSINAMIDEA2OCI0.74
DTYD-TYROSINEA1C4B0.72
DTYD-TYROSINEA,L1ZEA0.72
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.72
DTYD-TYROSINEA,B1UNO0.72
DTYD-TYROSINEA2IGZ0.72
DTYD-TYROSINEA,B,C,H,K,L2R5D0.72
DTYD-TYROSINEA,B2Q330.72
DTYD-TYROSINEH,S2H9E0.72
DTYD-TYROSINEA,B,C,H,K,L2R5B0.72
DTYD-TYROSINEA2IH00.72
DTYD-TYROSINEA1D7T0.72
DTYD-TYROSINEA,B1XA00.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.74
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.74
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.75
LNRL-NOREPINEPHRINEA,B2QEO0.75
LNRL-NOREPINEPHRINEA3DYE0.75
LNRL-NOREPINEPHRINEA4PAH0.75
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
F165-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-
ONE 1,1-DIOXIDE
A2CM80.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
ETY4-ethylphenolA,B,C,D2RA60.73
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.71
1NP1-NAPHTHOLX2ZVQ0.72
AEF4-(2-aminoethyl)phenolA3BRA0.78
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.75
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77
TYBTYROSINALA,B1KDZ0.75
TYBTYROSINALA1Q110.75
TYBTYROSINALA,B2J5B0.75
TYBTYROSINALA,I1GA40.75
TYBTYROSINALA,B,C1NLU0.75
TYBTYROSINALA,B1KE10.75
TYBTYROSINALA,B1H3F0.75
TYBTYROSINALA,B1H3E0.75
IYR3-IODO-TYROSINEA2D980.7
IYR3-IODO-TYROSINEA2D8P0.7
IYR3-IODO-TYROSINEA,B3GFD0.7
IYR3-IODO-TYROSINEA2R1Q0.7
IYR3-IODO-TYROSINEA2ZP10.7
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.7
IYR3-IODO-TYROSINEC1CF00.7
IYR3-IODO-TYROSINEA1XXZ0.7
IYR3-IODO-TYROSINEA2D970.7
IYR3-IODO-TYROSINEA1XY90.7
IYR3-IODO-TYROSINEA2Z100.7
IYR3-IODO-TYROSINEA1WQ30.7
IYR3-IODO-TYROSINEA2D8O0.7
IYR3-IODO-TYROSINEA2D8W0.7
IYR3-IODO-TYROSINEA2Z110.7