Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01219268
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 |
DRR | A,B | 3BXR | 0.74 | ||
DRS | (9S,12S)-9-(1-methylethyl)-7,10- dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca- 1(16),14,17-triene-12-carboxylic acid | A,B | 3BXS | 0.73 | |
MC1 | METHICILLIN ACYL-SERINE | A,B | 1MWU | 0.75 | |
4NH | 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)- N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE- 3-CARBOXAMIDE | A,B | 2A8H | 0.7 | |
PI4 | 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO- 2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2- HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT- BUTYLAMIDE | A,B | 1B6L | 0.71 | |
F1L | N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJL | 0.71 | |
NFN | 6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLATE | A | 1T9W | 0.72 | |
PI5 | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14- TRIEN-11-YLAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL)- PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN- 1-YL)-BUTYRAMIDE | A,B | 1B6K | 0.71 | |
ABY | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL2 | 0.79 | |
ABY | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL1 | 0.79 | |
177 | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]- PYRROLIDINE-3-CARBOXYLIC ACID 5- CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)- BENZYLAMIDE | A,B | 1TA6 | 0.7 | |
TYP | CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR | A,B | 1W1Y | 0.71 | |
SD2 | N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDE | A,B | 1PWQ | 0.75 | |
BBH | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)- 6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE | A,B | 1D8M | 0.73 | |
BBH | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)- 6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE | A,B | 1G05 | 0.73 | |
IH6 | (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}- N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE- 3-CARBOXAMIDE | A,B | 1ZXC | 0.71 | |
GNQ | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HHN | 0.72 | |
GNQ | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HH5 | 0.72 | |
CRV | N-[1-(AMINOMETHYL)CYCLOPROPYL]- 3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2- TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]- L-ALANINAMIDE | A,B | 2FRA | 0.71 | |
HTA | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.75 | |
GGO | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL- 5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 2-ONE | B | 2OQI | 0.7 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.77 | |
AXL | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)- ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | B | 1LL9 | 0.75 | |
K21 | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]- 7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4- BENZOTHIAZEPINE | A,B | 1HAK | 0.78 | |
006 | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}- 2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)- 2-hydroxy-2,3-dihydro-1H-inden- 1-yl]-5,5-dimethyl-1,3-thiazolidine- 4-carboxamide | A,B,C,D | 3FNU | 0.72 | |
PNV | (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6- (2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE- 2-CARBOXYLIC ACID | A,C | 2Z71 | 0.71 | |
PNV | (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6- (2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE- 2-CARBOXYLIC ACID | A | 2EX9 | 0.71 | |
348 | 4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL- 2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | H | 2CF9 | 0.7 | |
PI1 | A,B | 1B6J | 0.71 | ||
11N | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.71 | |
F1I | N-[1-(2,6-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJI | 0.78 | |
LIJ | BENZYL [(1S)-2-({(1S,2R)-1-BENZYL- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)- 2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE | A,B,C | 2HIZ | 0.72 | |
NOQ | (1R,2R)-N-(2-AMINOETHYL)-2-{[(4- METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE | A | 2F7D | 0.74 | |
997 | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO- PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY- PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4- TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE | A | 1TFT | 0.72 |