Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03610500
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 |
H12 | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN- 2(1H)-ONE | A | 1TKT | 0.78 | |
RXC | (1S)-1-(3-chlorophenyl)-2-oxo-2- [(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 5-yl)amino]ethyl acetate | A,B,C,D | 3DEJ | 0.73 | |
177 | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]- PYRROLIDINE-3-CARBOXYLIC ACID 5- CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)- BENZYLAMIDE | A,B | 1TA6 | 0.71 | |
ESY | benzyl N-[(benzyloxy)carbonyl]- L-alanyl-N~6~-[(2R,3S,4S)-3-formyl- 2-hydroxy-4-methylhexanoyl]-L-lysinate | K,Y | 3E47 | 0.7 | |
L1D | (2R,4S)-N^1^-(4-chlorophenyl)-N^2^- [2-fluoro-4-(2-oxopyridin-1(2H)- yl)phenyl]-4-hydroxy-4-phenylpyrrolidine- 1,2-dicarboxamide | A,C | 2W3K | 0.7 | |
ALD | CARBOBENZYLOXYLEUCINYL-LEUCINYL- LEUCINAL | A | 1BP4 | 0.7 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.72 | |
SDK | 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]- L-LEUCYL]AMINO]-2-PROPANONE | A | 1AU0 | 0.72 | |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.7 | |
452 | 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID | A,B | 2QE2 | 0.74 | |
186 | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | X | 1U9Q | 0.72 | |
H20 | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN- 2(1H)-ONE | A | 1TL3 | 0.78 | |
M18 | {(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin- 2-yl}methyl (3-chlorophenyl)acetate | H,I | 3EGK | 0.72 | |
679 | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)- 2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL- 3-YLAMINO]-BENZOIC ACID | A,B | 1Q4L | 0.7 | |
ICL | [1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)- 2-METHYL-PROPYL]-CARBAMIC ACID TERT- BUTYL ESTER | A | 1INC | 0.75 | |
UC4 | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO- 2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE | A | 1RT7 | 0.71 | |
SK2 | (3R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | A | 2F6V | 0.73 | |
IN0 | N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL- PROPYL) -5-NAPHTHALEN-1-YL-2-OXO- 1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN- 3-YL]-ACETYL}-ASPARTIC ACID | A,B,C | 1EZF | 0.8 | |
EFZ | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H- 3,1-BENZOXAZIN-2-ONE | A | 1FKO | 0.72 | |
EFZ | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H- 3,1-BENZOXAZIN-2-ONE | A | 1IKW | 0.72 | |
EFZ | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H- 3,1-BENZOXAZIN-2-ONE | A | 1JKH | 0.72 | |
EFZ | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H- 3,1-BENZOXAZIN-2-ONE | A | 1FK9 | 0.72 | |
EFZ | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H- 3,1-BENZOXAZIN-2-ONE | A | 1IKV | 0.72 | |
1BH | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO- 4-PHENYL-BUTAN-2-OL | A | 1BH6 | 0.71 | |
ZU5 | N-[(benzyloxy)carbonyl]-O-tert- butyl-L-threonyl-N-[(1R)-4-cyclopropyl- 4-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}butyl]-L-leucinamide | A | 2ZU5 | 0.7 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 3TLH | 0.73 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 1B11 | 0.73 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 6FIV | 0.73 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 5FIV | 0.73 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 2HAH | 0.73 | |
UC3 | 1-METHYL ETHYL 2-CHLORO-5-[[[(1- METHYLETHOXY)THIOOXO]METHYL]AMINO]- BENZOATE | A | 1RT6 | 0.71 | |
WR1 | NALPHA-[(BENZYLOXY)CARBONYL]-N- [(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]- L-PHENYLALANINAMIDE | A,B | 2OP9 | 0.72 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.71 | |
NOL | N-[(BENZYLOXY)CARBONYL]-O-(TERT- BUTYL)-L-THREONYL-3-CYCLOHEXYL- N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN- 3-YL]METHYL}ETHYL]-L-ALANINAMIDE | A | 2GX4 | 0.7 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.71 | |
4BO | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.73 | |
77B | BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DCC | 0.73 |