Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02058827
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 |
D1R![]() | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]- N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}- L-PHENYLALANINAMIDE | A | 2P7U | 0.71 | ![]() |
D1R![]() | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]- N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}- L-PHENYLALANINAMIDE | A,C | 2OZ2 | 0.71 | ![]() |
IZD![]() | ISOTHIAZOLIDINONE ANALOG | A | 2CM7 | 0.72 | ![]() |
MZ1![]() | N~2~-ACETYL-N-[(1S,2R)-1-BENZYL- 2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5- TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]- L-ALANINAMIDE | A,B | 2QHY | 0.76 | ![]() |
KCP![]() | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)- METHYL]-5-METHYL-3,6-DIHYDRO-2H- [1,3]THIAZINE-4-CARBOXYLIC ACID | A,B | 1KVL | 0.72 | ![]() |
CED![]() | 5-METHYL-2-[2-OXO-1-(2-THIOPHEN- 2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO- 2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | A | 1GHM | 0.71 | ![]() |
MZ2![]() | (2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY- 3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]- 4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE | A,B | 2QHZ | 0.72 | ![]() |
CEP![]() | CEPHALOTHIN GROUP | A | 1CEG | 0.7 | ![]() |
CEP![]() | CEPHALOTHIN GROUP | A | 1IYP | 0.7 | ![]() |
TP2![]() | N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | A,B | 1F4D | 0.74 | ![]() |
TP2![]() | N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | A,B | 1F4C | 0.74 | ![]() |
CTB![]() | N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID | A,B | 1FSW | 0.72 | ![]() |
895![]() | 2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}ETHENESULFONAMIDE | D,H | 2JH5 | 0.72 | ![]() |
895![]() | 2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}ETHENESULFONAMIDE | A | 2UWL | 0.72 | ![]() |
C71![]() | N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAHYDRO- 2H-THIOPYRAN-4-YL]-3-(1-METHYLCYCLOPENTYL)- N~2~-[(1E)-N-(PHENYLSULFONYL)ETHANIMIDOYL]- L-ALANINAMIDE | A,B | 2FRQ | 0.7 | ![]() |
NCF![]() | (2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}- 5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID | A,B,C,D | 1W8Y | 0.71 | ![]() |
701![]() | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}PROPENE-1-SULFONAMIDE | D,H | 2JH0 | 0.72 | ![]() |
701![]() | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}PROPENE-1-SULFONAMIDE | A | 2UWO | 0.72 | ![]() |
SM3![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.72 | ![]() |
SM3![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.72 | ![]() |
SM3![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.72 | ![]() |
CRJ![]() | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)- 5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)- N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4- FLUOROPHENYL)ETHYL]-L-ALANINAMIDE | A,B | 2FQ9 | 0.71 | ![]() |
894![]() | 2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}ETHANESULFONAMIDE | A | 2UWP | 0.73 | ![]() |
894![]() | 2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}ETHANESULFONAMIDE | D,H | 2JH6 | 0.73 | ![]() |
BAT![]() | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1JK3 | 0.78 | ![]() |
BAT![]() | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1MMB | 0.78 | ![]() |
BAT![]() | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 2RJQ | 0.78 | ![]() |
BAT![]() | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1RM8 | 0.78 | ![]() |
BAT![]() | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A,B | 2J83 | 0.78 | ![]() |
BAT![]() | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A,B | 1DTH | 0.78 | ![]() |