Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02515179
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 |
B8L![]() | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.72 | ![]() |
FLQ![]() | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.7 | ![]() |
941![]() | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO- 2-[4-(3-HYDROXY-2-METHOXYCARBONYL- PHENOXY)-BUTYLCARBAMOYL]-ETHYL}- PHENOXY)-MALONIC ACID | A | 1PYN | 0.71 | ![]() |
CN2![]() | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 1Z2B | 0.72 | ![]() |
CN2![]() | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 3DU7 | 0.72 | ![]() |
CN2![]() | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,D,F,G | 3EDL | 0.72 | ![]() |
CN2![]() | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 1SA0 | 0.72 | ![]() |
TMS![]() | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.76 | ![]() |
XN2![]() | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)- 4(BENZO[1,3]DIOXOL-5-YLMETHYL)- PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)- PENTANAMIDE | A,B | 1K6V | 0.7 | ![]() |
429![]() | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.76 | ![]() |
C39![]() | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.75 | ![]() |
XN3![]() | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(BENZO[1,3]DIOXOL-5-YLMETHYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1K6P | 0.7 | ![]() |
C40![]() | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.74 | ![]() |
MFN![]() | N-[4,5,7-TRICARBOXYHEPTANOYL]-L- GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]- 3-FURYL}METHOXY)PHENYL]ETHYL}-D- GLUTAMINE | A,B,C,D | 2FHK | 0.71 | ![]() |
MFN![]() | N-[4,5,7-TRICARBOXYHEPTANOYL]-L- GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]- 3-FURYL}METHOXY)PHENYL]ETHYL}-D- GLUTAMINE | A,B,C,D | 2FHJ | 0.71 | ![]() |
C41![]() | ALISKIREN | C,O | 2V0Z | 0.71 | ![]() |
C61![]() | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.71 | ![]() |
PI8![]() | N-13-[(10S,13S)-9,12-DIOXO-10-(2- BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA- 15,17,18-TRIENE] (2R)-BENZYL-(4S)- HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY- (2S)-INDANEAMIDE | A,B | 1D4K | 0.71 | ![]() |
BA1![]() | BALANOL | A | 1BX6 | 0.74 | ![]() |
RDA![]() | METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY- 4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}- 4,6-DIHYDROXYBENZOATE | A,B | 2GFD | 0.72 | ![]() |
RDA![]() | METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY- 4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}- 4,6-DIHYDROXYBENZOATE | A | 2FXS | 0.72 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1E1Y | 0.71 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A,B | 3BLR | 0.71 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1C8K | 0.71 | ![]() |
VAG![]() | VANCOMYCIN AGLYCON | A | 1GHG | 0.72 | ![]() |
MUS![]() | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5- (ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO- NON-2-ULOPYRANOSIDONIC ACID | A | 1S0J | 0.71 | ![]() |
DVV![]() | DESVANCOSAMINYL VANCOMYCIN | A,B | 1PN3 | 0.7 | ![]() |
DVV![]() | DESVANCOSAMINYL VANCOMYCIN | A,B | 1RRV | 0.7 | ![]() |
LOC![]() | N-[(7S)-1,2,3,10-tetramethoxy-9- oxo-6,7-dihydro-5H-benzo[d]heptalen- 7-yl]ethanamide | A,B,C,D | 3E22 | 0.74 | ![]() |
CX6![]() | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3- G]PYRROLO[2,1-B][1,3]BENZOXAZIN- 11-ONE | A,B,C,D,E,F | 2AL4 | 0.72 | ![]() |
EH5![]() | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3- DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]- [2-(HEXAHYDRO-BENZO[1,3]DIOXOL- 5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)- 4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE | A | 1LF3 | 0.75 | ![]() |