Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02422456
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 |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.72 | ![]() |
M07![]() | (5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)- 3-(4-METHOXYPHENYL)-1,6-DIOXA-2- AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL | A | 2QRG | 0.71 | ![]() |
PIT![]() | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.78 | ![]() |
DHR![]() | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.73 | ![]() |
555![]() | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.73 | ![]() |
55E![]() | 4-(4-hydroxy-3-methylphenyl)-6- phenylpyrimidin-2(5H)-one | A | 3DCV | 0.83 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 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 | ![]() |
226![]() | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.75 | ![]() |
IM3![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-2- IMINOPROPANOIC ACID | A,B,C,D | 2E82 | 0.71 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.73 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.73 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.73 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.76 | ![]() |
OX5![]() | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME | A,B,C | 2OOZ | 0.72 | ![]() |
AEG![]() | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.71 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.73 | ![]() |
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 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.7 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.72 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.75 | ![]() |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.71 | ![]() |
STL![]() | RESVERATROL | A,B | 3CKL | 0.81 | ![]() |
STL![]() | RESVERATROL | A,B,C,D | 1U0W | 0.81 | ![]() |
STL![]() | RESVERATROL | A | 1CGZ | 0.81 | ![]() |
STL![]() | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.81 | ![]() |
STL![]() | RESVERATROL | A | 1Z1F | 0.81 | ![]() |
STL![]() | RESVERATROL | A | 1DVS | 0.81 | ![]() |
STL![]() | RESVERATROL | A,B | 1SG0 | 0.81 | ![]() |
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 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 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 | 0.76 | ![]() |
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 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.73 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.78 | ![]() |
G50![]() | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.73 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.75 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.76 | ![]() |
HDI![]() | 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO- 5-ISOXAZOLE-ACETIC ACID METHYL ESTER | A,B,C | 1LJT | 0.73 | ![]() |
OX4![]() | 3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOW | 0.71 | ![]() |
HCC![]() | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.73 | ![]() |
ECO![]() | ESTRADIOL-6 CARBOXYL-METHYL-OXIME | B,D,F,H | 1JNH | 0.7 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.72 | ![]() |
OX3![]() | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOH | 0.73 | ![]() |
178![]() | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.71 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.71 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.71 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.75 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.78 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.73 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.73 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.73 | ![]() |
SN1![]() | 2,4-DIHYDROXY-TRANS CINNAMIC ACID | 1 | 1K2I | 0.77 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.71 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.77 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.77 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.76 | ![]() |
RCO![]() | RESORCINOL | A,B,C,E,F,G, H,I,J,K | 2OLY | 0.7 | ![]() |
RCO![]() | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,T,U,X,Y | 2OM1 | 0.7 | ![]() |
RCO![]() | RESORCINOL | A,B,C,E,G,H, I,K | 2OLZ | 0.7 | ![]() |
RCO![]() | RESORCINOL | A,B,C,D,E,F | 2OMH | 0.7 | ![]() |
RCO![]() | RESORCINOL | A,B,C,E,G,H, I,J,K | 2OMI | 0.7 | ![]() |
RCO![]() | RESORCINOL | A,B,C,D,E,G, I,J,K | 1EVR | 0.7 | ![]() |
RCO![]() | RESORCINOL | A,C,E,G,I,K,M | 1QIZ | 0.7 | ![]() |
RCO![]() | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,U,X,Y | 2OM0 | 0.7 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1EV3 | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B | 1UZ9 | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1ZEH | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,C,D,E | 7INS | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.71 | ![]() |