Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02212955
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 |
W29 | 4-(3-ethylthiophen-2-yl)benzene- 1,2-diol | A | 3D27 | 0.72 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.74 | |
DHR | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.75 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.78 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.78 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.78 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.78 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.78 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.78 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.78 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.7 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.71 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.7 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.76 | |
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 | ||
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.71 | |
PIT | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.77 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.72 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.72 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.72 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.72 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.73 | |
DHC | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.78 | |
DHC | CAFFEIC ACID | A | 1KOU | 0.78 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.71 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.72 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.72 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.72 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.72 | |
F16 | 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)- ONE 1,1-DIOXIDE | A | 2CM8 | 0.74 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.71 | |
4HL | 4-(HYDRAZINOMETHYL)PHENOL | A,B | 2E2U | 0.72 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.83 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.83 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.83 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.72 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.72 | |
ALE | L-EPINEPHRINE | A | 2HKK | 0.72 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.72 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.72 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.72 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.76 | |
DAH | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1RNR | 0.72 | |
DAH | 3,4-DIHYDROXYPHENYLALANINE | A | 6PAH | 0.72 | |
DAH | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1IVV | 0.72 | |
LNR | L-NOREPINEPHRINE | A,B | 2QEO | 0.76 | |
LNR | L-NOREPINEPHRINE | A | 3DYE | 0.76 | |
LNR | L-NOREPINEPHRINE | A | 4PAH | 0.76 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.76 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.72 | |
3FA | 3-FLUOROBENZENE-1,2-DIOL | A | 2AS4 | 0.71 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.72 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.72 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.72 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.72 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.72 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.72 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.72 | |
TY3 | 3-HYDROXY-L-TYROSINE | A,B | 2VH3 | 0.72 | |
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 | 0.71 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.72 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.72 | |
STL | RESVERATROL | A,B | 3CKL | 0.74 | |
STL | RESVERATROL | A,B,C,D | 1U0W | 0.74 | |
STL | RESVERATROL | A | 1CGZ | 0.74 | |
STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.74 | |
STL | RESVERATROL | A | 1Z1F | 0.74 | |
STL | RESVERATROL | A | 1DVS | 0.74 | |
STL | RESVERATROL | A,B | 1SG0 | 0.74 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.71 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.8 | |
CAQ | CATECHOL | B | 2BUY | 0.73 | |
CAQ | CATECHOL | A | 1KND | 0.73 | |
CAQ | CATECHOL | B | 2BUQ | 0.73 | |
CAQ | CATECHOL | A,B | 1DLT | 0.73 | |
CAQ | CATECHOL | A | 1XEP | 0.73 | |
CAQ | CATECHOL | A | 2PUM | 0.73 | |
196 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.71 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.7 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.73 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.7 | |
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.71 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.7 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.7 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.76 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.7 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.7 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.7 | |
SGI | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.73 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.81 | |
IM3 | (2E)-3-(3,4-DIHYDROXYPHENYL)-2- IMINOPROPANOIC ACID | A,B,C,D | 2E82 | 0.74 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.71 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.82 | |
LDP | L-DOPAMINE | A | 5PAH | 0.82 | |
LDP | L-DOPAMINE | A,B | 2QMZ | 0.82 | |
LDP | L-DOPAMINE | A,B | 2VQ5 | 0.82 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.76 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.76 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.76 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.76 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.76 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.76 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.76 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.76 | |
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 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.7 | |
PCR | P-CRESOL | A | 1JHV | 0.75 | |
PCR | P-CRESOL | A | 1JHU | 0.75 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.75 |