Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01604671
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 |
LIB | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHL | 0.73 |  |
R86 | 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)- 6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN- 2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE | A | 2ORP | 0.73 | |
342 | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)- 3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE | A | 2ORT | 0.71 | |
XLD | 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO- 2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]- 4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]- 2-THIOPHENECARBOXAMIDE | A | 1MQ6 | 0.72 | |
QQ2 | [(2-CHLORO-5-METHYLPHENYL){6-[(4- {[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO]ACETONITRILE | A,B,C,D | 2IW6 | 0.71 | |
KTN | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)- 2-(1H-IMIDAZOL-1-YLMETHYL)-1,3- DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE | A | 1JIP | 0.78 | |
| KTN | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)- 2-(1H-IMIDAZOL-1-YLMETHYL)-1,3- DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE | A | 1JIN | 0.78 | |
KLN | 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4- DICHLOROPHENYL)-2-(1H-IMIDAZOL- 1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE | A,B,C,D | 2V0M | 0.78 | |
B35 | 4-[(1S)-1-(3-fluoro-4-methoxyphenyl)- 2-(2-methoxy-5-nitrophenyl)ethyl]- 1H-imidazol-2-amine | A,B,C | 3H0B | 0.7 | |
A25 | 18-CHLORO-11,12,13,14-TETRAHYDRO- 1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN- 2-ONE | A | 2E9U | 0.74 | |
276 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]- 3H-benzimidazol-5-yl]oxy]-N-methyl- pyridine-2-carboxamide | A | 2QU5 | 0.71 | |
VG8 | 4-(1,4'-bipiperidin-1'-yl)-7-({5- chloro-2-[(2-methoxyphenyl)amino]pyrimidin- 4-yl}amino)-2-methyl-2,3-dihydro- 1H-isoindol-1-one | A | 2JKQ | 0.7 | |
663 | 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN- 2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)- 4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE- 2-CARBOXAMIDE | B | 2P3U | 0.77 | |
AK5 | 3-({3-[(6-amino-5-bromopyrimidin- 4-yl)sulfanyl]propanoyl}amino)- 4-methoxy-N-phenylbenzamide | A | 3DJ5 | 0.71 | |
7X8 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL- 4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | A | 2VX1 | 0.7 | |
993 | 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL- 1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4- CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)- 6-METHOXY-PHENYL]-AMIDE | B | 2P3T | 0.77 | |
77A | 1-(5-CHLORO-2-METHOXYPHENYL)-3- {6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN- 2-YL}UREA | A | 2E9P | 0.76 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWH | 0.7 | |
| BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWJ | 0.7 | |
741 | 4-[[3-chloro-4-(1-methylimidazol- 2-yl)sulfanyl-phenyl]amino]-7-[3- (2-hydroxyethyl-methyl-amino)propoxy]- 6-methoxy-quinoline-3-carbonitrile | A,B,C,D,E,F, G,H,I,J,K,L, M,R,S,T | 3F5P | 0.71 | |
039 | 2-((9H-PURIN-6-YLTHIO)METHYL)-5- CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN- 4(3H)-ONE | A | 2CHW | 0.73 | |
AK6 | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3- b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | A | 3DJ6 | 0.73 | |
LIC | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHM | 0.76 | |
ECN | 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]- 2-(2,4-DICHLOROPHENYL)ETHYL]-1H- IMIDAZOLE | A,B | 2UVN | 0.7 | |
GS7 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)- 7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | A | 3ELJ | 0.7 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D,U,X | 1FM6 | 0.75 | |
| BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 2PRG | 0.75 | |
| BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A | 1ZGY | 0.75 | |
| BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 3CS8 | 0.75 | |
| BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D | 3DZY | 0.75 | |