Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01426517
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 |
AJI | 3-[(4-fluorophenyl)sulfanyl]-N- (4-methyl-1,3-thiazol-2-yl)-6-[(4- methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine- 2-carboxamide | X | 3A0I | 0.72 |  |
1IG | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1N | 0.7 | |
304 | N-[2-methyl-5-(methylcarbamoyl)phenyl]- 2-{[(1R)-1-methylpropyl]amino}- 1,3-thiazole-5-carboxamide | A | 3BX5 | 0.72 | |
LS4 | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL- 3-YLIDENE)METHYL]AMINO}-N-(1,3- THIAZOL-2-YL)BENZENESULFONAMIDE | A | 1KE8 | 0.71 | |
G95 | N-[(1S)-2-amino-1-phenylethyl]- 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene- 2-carboxamide | A,B | 3E87 | 0.71 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A,B | 2VQV | 0.72 | |
| HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A | 2VQM | 0.72 | |
815 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1- (1-AMINO-ISOQUINOLIN-7-YLMETHYL)- 2-OXO-PYRROLDIN-3-YL]-AMIDE | A | 1F0R | 0.71 | |
165 | N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL- N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE | H,I | 1SB1 | 0.76 | |
BTH | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- PENTANOIC ACID | A | 1RWO | 0.72 | |
B18 | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)- 1,3-THIAZOL-2-YL]-4-METHYL-1-OXO- 2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE- 6-CARBOXAMIDE | A,B,C | 2PZY | 0.79 | |
ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2PDI | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2PDX | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2DUX | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 1MAR | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2DV0 | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2PDM | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2PDB | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2PD5 | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2FZ9 | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2DUZ | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2PDF | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2HVO | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2HVN | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2FZ8 | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 2HV5 | 0.76 | |
| ZST | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL- 2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | A | 1FRB | 0.76 | |
O16 | 3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4- DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN- 6-YL)-5-[(E)-2-PHENYLVINYL]-3H- TETRAAZOL-2-IUM | A,B,C,D | 1V40 | 0.81 | |
RWJ | CYCLOPENTANECARBOXYLIC ACID [1- (BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO- BUTYL]-AMIDE | A | 1QCP | 0.73 | |
D42 | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)- 4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL- 5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | A | 2B52 | 0.71 | |
3TH | 2-CHLORO-N-[(3R)-2-OXO-1,2,3,4- TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3- B]PYRROLE-5-CARBOXAMIDE | A | 2GM9 | 0.7 | |
D92 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL- 4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI6 | 0.71 | |
AK1 | 1-{5-[2-(thieno[3,2-d]pyrimidin- 4-ylamino)ethyl]-1,3-thiazol-2- yl}-3-[3-(trifluoromethyl)phenyl]urea | A | 3D14 | 0.71 | |
Q2Y | 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2- YLAMINO)-BENZOYLAMINO]-METHYL}- THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID | A | 1RWM | 0.72 | |
HM5 | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]- N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE | A | 2NQ7 | 0.71 | |
DT8 | N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)- 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI8 | 0.71 | |
737 | N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)- BUTYL]-2-{6-OXO-5-[(QUINOLIN-8- YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN- 1-YL}-ACETAMIDE | A | 1ZTL | 0.71 | |
F32 | (5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL- 2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN- 3-ONE 1,1-DIOXIDE | A | 2CNF | 0.72 | |
D93 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL- 4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI7 | 0.71 | |