Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03760859
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 |
DHC![]() | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.72 | ![]() |
DHC![]() | CAFFEIC ACID | A | 1KOU | 0.72 | ![]() |
BR3![]() | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.73 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.73 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.71 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.71 | ![]() |
261![]() | 2-ethoxyphenol | X | 2RB1 | 0.77 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.76 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.76 | ![]() |
TF5![]() | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.74 | ![]() |
FIL![]() | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.72 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 1EZV | 0.73 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1P84 | 0.73 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 2IBZ | 0.73 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1KB9 | 0.73 | ![]() |
DR6![]() | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.76 | ![]() |
VXX![]() | VANILLATE | A,B | 1WB6 | 0.72 | ![]() |
CTF![]() | (17beta)-17-(cyanomethyl)-2-methoxyestra- 1(10),2,4-trien-3-yl sulfamate | A | 3BET | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.72 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1EV3 | 0.75 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.75 | ![]() |
CRS![]() | M-CRESOL | A,B | 1UZ9 | 0.75 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1ZEH | 0.75 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.75 | ![]() |
CRS![]() | M-CRESOL | A,C,D,E | 7INS | 0.75 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.75 | ![]() |
SXX![]() | SINAPINATE | A,B | 1WB4 | 0.78 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.8 | ![]() |
268![]() | 2-phenoxyethanol | A | 2RBR | 0.75 | ![]() |
CMZ![]() | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.7 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.76 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.72 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.7 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.7 | ![]() |
4HM![]() | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.71 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.71 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.83 | ![]() |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.8 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.7 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.7 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.7 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.7 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.7 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.72 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.72 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.74 | ![]() |
RSO![]() | R-STYRENE OXIDE | A,B | 1PWZ | 0.7 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.75 | ![]() |
INK![]() | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.72 | ![]() |
4FE![]() | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.83 | ![]() |
TOM![]() | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.74 | ![]() |
COU![]() | COUMARIN | A | 3CRB | 0.71 | ![]() |
COU![]() | COUMARIN | A | 2PMJ | 0.71 | ![]() |
COU![]() | COUMARIN | A | 2H90 | 0.71 | ![]() |
COU![]() | COUMARIN | A,B,C,D | 1Z10 | 0.71 | ![]() |
COU![]() | COUMARIN | A | 2PWB | 0.71 | ![]() |
OXN![]() | OXTOXYNOL-10 | A | 1IKT | 0.76 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2Q32 | 0.76 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 1UEH | 0.76 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2D4Q | 0.76 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.83 | ![]() |
PIT![]() | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.71 | ![]() |
POT![]() | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.72 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.71 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.71 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.71 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.71 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.72 | ![]() |
BOP![]() | 1-BROMO-4-METHOXYBENZENE | C,F | 1RHQ | 0.7 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.75 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.75 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.9 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.9 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.9 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.9 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.9 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.9 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.9 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.9 | ![]() |
300![]() | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.73 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.81 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.81 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.78 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.78 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.78 | ![]() |
EPL![]() | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.72 | ![]() |
DBA![]() | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.74 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.71 | ![]() |
PO1![]() | (9BETA,13ALPHA,14BETA,17ALPHA)- 2-METHOXYESTRA-1,3,5(10)-TRIENE- 3,17-DIYL DISULFAMATE | A | 2GD8 | 0.72 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.79 | ![]() |
FX3![]() | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.72 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.74 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.74 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.74 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.76 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.74 | ![]() |
ESM![]() | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.73 | ![]() |
HFL![]() | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.8 | ![]() |
ZZ1![]() | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.73 | ![]() |
8CM![]() | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.73 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.78 | ![]() |
STL![]() | RESVERATROL | A,B | 3CKL | 0.7 | ![]() |
STL![]() | RESVERATROL | A,B,C,D | 1U0W | 0.7 | ![]() |
STL![]() | RESVERATROL | A | 1CGZ | 0.7 | ![]() |
STL![]() | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.7 | ![]() |
STL![]() | RESVERATROL | A | 1Z1F | 0.7 | ![]() |
STL![]() | RESVERATROL | A | 1DVS | 0.7 | ![]() |
STL![]() | RESVERATROL | A,B | 1SG0 | 0.7 | ![]() |
MR1![]() | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.76 | ![]() |
4BR![]() | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.8 | ![]() |
YR3![]() | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.73 | ![]() |
MSB![]() | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.7 | ![]() |
MSB![]() | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.7 | ![]() |
258![]() | (2-chloroethoxy)benzene | X | 2RAY | 0.71 | ![]() |
EGC![]() | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.76 | ![]() |
EGC![]() | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.76 | ![]() |