Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00115052
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 |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.74 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.74 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.74 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.74 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.74 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.74 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.74 | |
RHP | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.78 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.72 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.74 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.71 | |
REN | (S)-reticuline | A | 3FWA | 0.7 | |
REN | (S)-reticuline | A | 3D2D | 0.7 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.72 | |
4HL | 4-(HYDRAZINOMETHYL)PHENOL | A,B | 2E2U | 0.75 | |
109 | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3C | 0.7 | |
109 | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3E | 0.7 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.88 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.88 | |
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.77 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.74 | |
LDP | L-DOPAMINE | A | 5PAH | 0.74 | |
LDP | L-DOPAMINE | A,B | 2QMZ | 0.74 | |
LDP | L-DOPAMINE | A,B | 2VQ5 | 0.74 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.7 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.75 | |
PCR | P-CRESOL | A | 1JHV | 0.72 | |
PCR | P-CRESOL | A | 1JHU | 0.72 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.72 | |
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 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.72 | |
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.71 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.71 | |
3XH | 3-Hydroxyhippuric acid | A | 3E9K | 0.71 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.74 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.77 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.71 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.71 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.71 | |
RM2 | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 0.74 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.71 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.72 | |
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 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.73 |