Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03428275
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 |
RNP | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1- NAPHTHYLOXY)PROPAN-2-OL | X | 1H46 | 0.72 |  |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.72 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.74 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.74 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.73 | |
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.74 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.73 | |
| EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.73 | |
55E | 4-(4-hydroxy-3-methylphenyl)-6- phenylpyrimidin-2(5H)-one | A | 3DCV | 0.83 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.72 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.72 | |
| ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.72 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.73 | |
OBP | A,B | 2DE3 | 0.7 | | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.72 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.72 | |
| CRS | M-CRESOL | A,B | 1UZ9 | 0.72 | |
| CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.72 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.72 | |
| CRS | M-CRESOL | A,C,D,E | 7INS | 0.72 | |
| CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.72 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.76 | |
CUS | (N-SALICYLIDEN-L-LEUCINATO)-COPPER(II) | A | 2EB9 | 0.71 | |
SAG | (S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE] | A,B | 2V5Z | 0.73 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.73 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.72 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.71 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.75 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.74 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.74 | |
| BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.74 | |
| BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.74 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.74 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.74 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.74 | |
OX5 | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME | A,B,C | 2OOZ | 0.78 | |
STL | RESVERATROL | A,B | 3CKL | 0.71 | |
| STL | RESVERATROL | A,B,C,D | 1U0W | 0.71 | |
| STL | RESVERATROL | A | 1CGZ | 0.71 | |
| STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.71 | |
| STL | RESVERATROL | A | 1Z1F | 0.71 | |
| STL | RESVERATROL | A | 1DVS | 0.71 | |
| STL | RESVERATROL | A,B | 1SG0 | 0.71 | |
178 | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.72 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 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 | 0.76 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.78 | |
BM4 | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.73 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1J3F | 0.8 | |
| CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1UFJ | 0.8 | |
| CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1V9Q | 0.8 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.75 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.72 | |
OX3 | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOH | 0.78 | |
CUP | (N-SALICYLIDEN-L-PHENYLALANATO)- COPPER(II) | A | 2EB8 | 0.7 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.73 | |
OX4 | 3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOW | 0.76 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.79 | |
| DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.79 | |
| DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.79 | |
| DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.79 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.74 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.74 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.73 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.78 | |
555 | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.79 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.72 | |
RM2 | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 0.75 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.71 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.72 | |
| SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.72 | |
PCR | P-CRESOL | A | 1JHV | 0.73 | |
| PCR | P-CRESOL | A | 1JHU | 0.73 | |
| PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.73 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.75 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.77 | |
| 2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.77 | |