Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00465605
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.72 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.72 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.77 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.71 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.71 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.71 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.71 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z | 1VQ6 | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQP | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z | 1VQN | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.75 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.81 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.81 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.84 | |
MBO | MERCURIBENZOIC ACID | A | 2QO8 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 1LUG | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2HOC | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 3EFI | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 3BL0 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A,B,C,D,E,F | 1NAQ | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 3CAJ | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 1DR7 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2HL4 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2GD8 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2QP6 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2HD6 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 3C7P | 0.71 | |
MBO | MERCURIBENZOIC ACID | A,B | 2JHN | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 1DR6 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2HNC | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2QOA | 0.71 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.85 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.73 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.86 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.72 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.72 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.72 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.72 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.72 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.73 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.73 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.7 | |
EST | ESTRADIOL | A,B | 1GWR | 0.72 | |
EST | ESTRADIOL | A | 1FDS | 0.72 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.72 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.72 | |
EST | ESTRADIOL | A,B | 1A52 | 0.72 | |
EST | ESTRADIOL | A | 1FDT | 0.72 | |
EST | ESTRADIOL | A | 2OCF | 0.72 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.72 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.72 | |
EST | ESTRADIOL | A | 1IOL | 0.72 | |
EST | ESTRADIOL | H | 1JNN | 0.72 | |
EST | ESTRADIOL | B | 1QKT | 0.72 | |
EST | ESTRADIOL | A | 1FDW | 0.72 | |
EST | ESTRADIOL | A,B | 1AQU | 0.72 | |
EST | ESTRADIOL | A | 1LHU | 0.72 | |
EST | ESTRADIOL | A | 1A27 | 0.72 | |
EST | ESTRADIOL | L | 1JGL | 0.72 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.72 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.72 | |
EST | ESTRADIOL | A | 2J7X | 0.72 | |
EST | ESTRADIOL | A,B | 2D06 | 0.72 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.71 | |
FBC | A,B | 2B9A | 0.71 | ||
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.86 | |
HC4 | A | 1TS6 | 0.72 | ||
HC4 | A | 3PHY | 0.72 | ||
HC4 | A | 3PYP | 0.72 | ||
HC4 | A | 1T1C | 0.72 | ||
HC4 | A | 1OT6 | 0.72 | ||
HC4 | A | 1TS0 | 0.72 | ||
HC4 | A | 1T1A | 0.72 | ||
HC4 | A | 2PYP | 0.72 | ||
HC4 | A | 2ZOI | 0.72 | ||
HC4 | A | 1OTI | 0.72 | ||
HC4 | A | 1XFQ | 0.72 | ||
HC4 | A | 2D01 | 0.72 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.72 | ||
HC4 | A | 2ZOH | 0.72 | ||
HC4 | A | 1GSW | 0.72 | ||
HC4 | A | 2QJ7 | 0.72 | ||
HC4 | A | 1F9I | 0.72 | ||
HC4 | X | 1UWP | 0.72 | ||
HC4 | A | 2PHY | 0.72 | ||
HC4 | A | 1T1B | 0.72 | ||
HC4 | A | 1F98 | 0.72 | ||
HC4 | A | 1T19 | 0.72 | ||
HC4 | X | 1UWN | 0.72 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.72 | ||
HC4 | A | 1UGU | 0.72 | ||
HC4 | A | 1TS8 | 0.72 | ||
HC4 | A,B | 1OTD | 0.72 | ||
HC4 | A | 1OTE | 0.72 | ||
HC4 | A | 1GSX | 0.72 | ||
HC4 | A | 1TS7 | 0.72 | ||
HC4 | A | 2PYR | 0.72 | ||
HC4 | A | 1S4S | 0.72 | ||
HC4 | A | 1GSV | 0.72 | ||
HC4 | A | 2I9V | 0.72 | ||
HC4 | A | 2QWS | 0.72 | ||
HC4 | A | 1XFN | 0.72 | ||
HC4 | A | 1S4R | 0.72 | ||
HC4 | A | 1T18 | 0.72 | ||
HC4 | A | 1OTA | 0.72 | ||
HC4 | A | 1D7E | 0.72 | ||
HC4 | A | 1S1Z | 0.72 | ||
HC4 | A,B,C | 1MZU | 0.72 | ||
HC4 | A,B | 1ODV | 0.72 | ||
HC4 | A,B | 2J3J | 0.72 | ||
HC4 | A | 2QJ5 | 0.72 | ||
HC4 | A | 1OTB | 0.72 | ||
HC4 | A | 2D02 | 0.72 | ||
HC4 | A | 1OT9 | 0.72 | ||
HC4 | A | 1NWZ | 0.72 | ||
HC4 | A | 1S1Y | 0.72 | ||
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.95 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.8 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.8 | |
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.8 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.82 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.73 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.73 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.73 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.74 | |
BRB | PARA-BROMOBENZYL ALCOHOL | A,B | 1HLD | 0.8 | |
PFB | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1MGO | 0.76 | |
PFB | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1HLD | 0.76 | |
LJ2 | 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN1 | 0.73 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.9 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.71 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.71 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.71 | |
8PP | 2-[(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,D | 1Y0G | 0.77 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.88 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.72 | |
PYY | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.73 | |
HHH | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.71 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.88 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.8 | |
26C | A,B | 2F7I | 0.71 | ||
BPM | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.73 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.75 | |
DRQ | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.7 | |
459 | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.7 | |
B28 | A,B | 2E9A | 0.7 | ||
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.71 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.72 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.79 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.78 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.77 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.77 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.88 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.87 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.87 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.72 | |
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.7 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.7 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.7 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.7 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.72 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.77 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.7 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.7 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.77 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.77 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.79 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.78 | |
OBP | A,B | 2DE3 | 0.72 | ||
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.7 | |
DHR | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.77 | |
ANF | ANTHRONE | H | 2BJM | 0.74 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.77 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.77 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.77 | |
OHP | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.81 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.81 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.81 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.81 | |
4FC | A | 1YSG | 0.72 | ||
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.85 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.85 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.76 | |
FFD | (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol | A,B,C,D,E,F, G,H,I,J,K,L | 2PIS | 0.71 | |
PCR | P-CRESOL | A | 1JHV | 0.77 | |
PCR | P-CRESOL | A | 1JHU | 0.77 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.77 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.78 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.71 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.71 | |
PIT | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.71 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.83 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.76 | |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.79 | |
4BZ | 4-(HYDROXYMETHYL)BENZAMIDINE | A | 1S6H | 0.71 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.7 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.73 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.75 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.73 | |
B08 | A,B | 2E99 | 0.71 | ||
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.76 | |
LJ3 | 3,5-dibromobiphenyl-4-ol | A,B | 3CN2 | 0.73 | |
BFL | A,B | 1Q4G | 0.72 | ||
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.95 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.95 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.95 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.76 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.86 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.73 | |
STL | RESVERATROL | A,B | 3CKL | 0.75 | |
STL | RESVERATROL | A,B,C,D | 1U0W | 0.75 | |
STL | RESVERATROL | A | 1CGZ | 0.75 | |
STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.75 | |
STL | RESVERATROL | A | 1Z1F | 0.75 | |
STL | RESVERATROL | A | 1DVS | 0.75 | |
STL | RESVERATROL | A,B | 1SG0 | 0.75 | |
BPA | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.76 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.74 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.74 | |
ESL | ESTRIOL | A | 1X8V | 0.7 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.73 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.73 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.7 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.78 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.78 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.88 | |
BEZ | BENZOIC ACID | A,B | 2F8D | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1A8U | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1REE | 0.71 | |
BEZ | BENZOIC ACID | A | 1L7Q | 0.71 | |
BEZ | BENZOIC ACID | A | 1I69 | 0.71 | |
BEZ | BENZOIC ACID | H,L | 1RUL | 0.71 | |
BEZ | BENZOIC ACID | A,B | 3CCF | 0.71 | |
BEZ | BENZOIC ACID | A | 1W9Q | 0.71 | |
BEZ | BENZOIC ACID | A,B,G,J | 2DU8 | 0.71 | |
BEZ | BENZOIC ACID | H,L | 1RUA | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 1H4O | 0.71 | |
BEZ | BENZOIC ACID | H,L | 1RU9 | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 2V32 | 0.71 | |
BEZ | BENZOIC ACID | A | 2QMQ | 0.71 | |
BEZ | BENZOIC ACID | A | 1UKB | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1RED | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1OC3 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1REF | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2O02 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2VJ1 | 0.71 | |
BEZ | BENZOIC ACID | A,B,C | 1WSP | 0.71 | |
BEZ | BENZOIC ACID | A | 1HZ4 | 0.71 | |
BEZ | BENZOIC ACID | A | 2Q38 | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 1UUJ | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2QL8 | 0.71 | |
BEZ | BENZOIC ACID | A | 2Q0I | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1S8F | 0.71 | |
BEZ | BENZOIC ACID | D,E,F,G,H | 1DJR | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H,I | 1ONI | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 1I7Q | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 2RHM | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2F78 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2VL2 | 0.71 | |
BEZ | BENZOIC ACID | A | 1HD2 | 0.71 | |
BEZ | BENZOIC ACID | A | 1JU4 | 0.71 | |
BEZ | BENZOIC ACID | H,L | 2AJY | 0.71 | |
BEZ | BENZOIC ACID | A,B,C | 3GV1 | 0.71 | |
BEZ | BENZOIC ACID | A | 2Q6U | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1VE9 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1S9A | 0.71 | |
BEZ | BENZOIC ACID | H,L,M | 1OP3 | 0.71 | |
BEZ | BENZOIC ACID | A | 1W9E | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 2V2G | 0.71 | |
BEZ | BENZOIC ACID | H,L | 2AK1 | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 2V41 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1GYX | 0.71 | |
BEZ | BENZOIC ACID | A | 1V1T | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1YAJ | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1HKQ | 0.71 | |
BEZ | BENZOIC ACID | H,L | 1RUK | 0.71 | |
BEZ | BENZOIC ACID | A | 2Q1B | 0.71 | |
BEZ | BENZOIC ACID | H,L | 1RUM | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2F7A | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 1KIF | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2V7B | 0.71 | |
BEZ | BENZOIC ACID | H | 1NCW | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1TMX | 0.71 | |
BEZ | BENZOIC ACID | A | 1URM | 0.71 | |
BEZ | BENZOIC ACID | A | 1W9O | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 1GXS | 0.71 | |
BEZ | BENZOIC ACID | H | 1RUP | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 1KQB | 0.71 | |
BEZ | BENZOIC ACID | A | 2Q9R | 0.71 | |
BEZ | BENZOIC ACID | D,H | 2OK6 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2Q0J | 0.71 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.71 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.71 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.71 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.71 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.71 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.71 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.71 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.7 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.76 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.79 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.79 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.76 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.76 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.76 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.76 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.76 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.76 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.76 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.76 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.76 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.76 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.76 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.7 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.8 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.7 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.76 | |
BDB | A,B | 1KE3 | 0.71 | ||
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.8 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1F2W | 0.71 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 2F14 | 0.71 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1BV3 | 0.71 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 2AW1 | 0.71 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1ZE8 | 0.71 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.78 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.84 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.76 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.76 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.76 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.76 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.76 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.76 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.76 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.7 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.7 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.77 | |
295 | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.75 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.72 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.72 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.72 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.72 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.72 |