Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02330916
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 |
XX7![]() | 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3R | 0.73 | ![]() |
TTL![]() | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.72 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.8 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.8 | ![]() |
YTT![]() | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione | A | 3G5H | 0.71 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.72 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.72 | ![]() |
109![]() | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3C | 0.73 | ![]() |
109![]() | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3E | 0.73 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.71 | ![]() |
XX6![]() | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3I | 0.73 | ![]() |
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 | ![]() |
IFA![]() | A,B | 3FC8 | 0.71 | ![]() | |
A48![]() | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.72 | ![]() |
3QC![]() | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.76 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.7 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.73 | ![]() |
CTL![]() | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.72 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.75 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 3PAH | 0.72 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 2HKK | 0.72 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.71 | ![]() |
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 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.82 | ![]() |
TOL![]() | TOLRESTAT | A | 2PDL | 0.72 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZD | 0.72 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZB | 0.72 | ![]() |
TOL![]() | TOLRESTAT | A | 1AH3 | 0.72 | ![]() |
TOL![]() | TOLRESTAT | X | 1ZUA | 0.72 | ![]() |
TOL![]() | TOLRESTAT | A | 1AE4 | 0.72 | ![]() |
AEF![]() | 4-(2-aminoethyl)phenol | A | 3BRA | 0.76 | ![]() |
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 | ![]() |
Y13![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.75 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.76 | ![]() |
108![]() | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3B | 0.74 | ![]() |
108![]() | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3D | 0.74 | ![]() |
ARY![]() | ARYLOMYCIN A2 | A,B | 1T7D | 0.7 | ![]() |
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 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.74 | ![]() |
196![]() | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.71 | ![]() |
SNP![]() | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.74 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.72 | ![]() |
RM2![]() | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 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 | 0.74 | ![]() |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.73 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.8 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.73 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.73 | ![]() |
AEG![]() | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.78 | ![]() |
IFB![]() | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.71 | ![]() |
B3Y![]() | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 3HF0 | 0.71 | ![]() |
B3Y![]() | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 2OXK | 0.71 | ![]() |
B3Y![]() | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A,B,C | 2OXJ | 0.71 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.74 | ![]() |
DPD![]() | A,B | 1QIW | 0.7 | ![]() | |
DPD![]() | A | 1QIV | 0.7 | ![]() | |
MA0![]() | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.76 | ![]() |
099![]() | (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)- N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]butanediamide | A,B | 3HYG | 0.71 | ![]() |
SLX![]() | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.72 | ![]() |
555![]() | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.71 | ![]() |
RHP![]() | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.82 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.72 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.72 | ![]() |
4HL![]() | 4-(HYDRAZINOMETHYL)PHENOL | A,B | 2E2U | 0.71 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.72 | ![]() |