Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023518
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 |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.83 | ![]() |
MA0![]() | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.74 | ![]() |
MTJ![]() | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.73 | ![]() |
TNT![]() | 1,3-BIS(AMIDINOPHENOXY)PROPANE | B | 102D | 0.7 | ![]() |
TNT![]() | 1,3-BIS(AMIDINOPHENOXY)PROPANE | A | 1PRP | 0.7 | ![]() |
SFX![]() | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.72 | ![]() |
P12![]() | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.71 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.7 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.7 | ![]() |
3MB![]() | 3-METHOXYBENZAMIDE | A | 3PAX | 0.76 | ![]() |
RFX![]() | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.72 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.81 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.81 | ![]() |
TOL![]() | TOLRESTAT | A | 2PDL | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZD | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZB | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 1AH3 | 0.7 | ![]() |
TOL![]() | TOLRESTAT | X | 1ZUA | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 1AE4 | 0.7 | ![]() |
505![]() | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.75 | ![]() |
DPD![]() | A,B | 1QIW | 0.71 | ![]() | |
DPD![]() | A | 1QIV | 0.71 | ![]() | |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.7 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.74 | ![]() |
4CR![]() | (1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)- N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN- 1-AMINIUM | A,B | 2C65 | 0.75 | ![]() |
P14![]() | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.72 | ![]() |
RHP![]() | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.71 | ![]() |
DID![]() | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.71 | ![]() |
296![]() | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.74 | ![]() |
HV7![]() | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.75 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.85 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.7 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.71 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.71 | ![]() |
AEG![]() | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.74 | ![]() |
RNP![]() | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1- NAPHTHYLOXY)PROPAN-2-OL | X | 1H46 | 0.71 | ![]() |
RM2![]() | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 0.75 | ![]() |
AEF![]() | 4-(2-aminoethyl)phenol | A | 3BRA | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.71 | ![]() |
CTX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.73 | ![]() |
MR1![]() | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.76 | ![]() |