Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02610044
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 |
REW![]() | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3- (2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)- 4-OXOAZETIDINE-2-CARBOXYLIC ACID | A | 2REW | 0.71 | ![]() |
IBI![]() | N-{trans-4-[4-(cyclopropylmethyl)piperazin- 1-yl]cyclohexyl}-4-{[(7R)-7-ethyl- 5-methyl-8-(1-methylethyl)-6-oxo- 5,6,7,8-tetrahydropteridin-2-yl]amino}- 3-methoxybenzamide | A | 3FC2 | 0.71 | ![]() |
KT3![]() | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO- PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO- 1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}- GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID | A,B | 1RC1 | 0.71 | ![]() |
5IG![]() | 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL- 2H-1,4-BENZOXAZIN-3(4H)-ONE | A,B | 2G1Y | 0.71 | ![]() |
NHR![]() | 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN- 6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}- PENTANEDIOIC ACID | A,B | 1C3E | 0.72 | ![]() |
G6G![]() | N-{3-[(3-{4-[(4-methoxyphenyl)amino]- 1,3,5-triazin-2-yl}pyridin-2-yl)amino]- 4-methylphenyl}-4-[(4-methylpiperazin- 1-yl)methyl]benzamide | A,B | 3G6G | 0.7 | ![]() |
896![]() | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.72 | ![]() |
CIE![]() | 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER | A,B | 1N0H | 0.7 | ![]() |
CIE![]() | 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER | A | 1YBH | 0.7 | ![]() |
DRH![]() | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4P | 0.71 | ![]() |
DRH![]() | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4Z | 0.71 | ![]() |
GNF![]() | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL- N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}- L-ALANINAMIDE | A,B | 2F1G | 0.71 | ![]() |
447![]() | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.7 | ![]() |
DRJ![]() | (2R)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4J | 0.71 | ![]() |
BI9![]() | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE | A | 2JKK | 0.71 | ![]() |
4IG![]() | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN- 3(4H)-ONE | A,B | 2G1S | 0.71 | ![]() |
328![]() | 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin- 1-yl}carbonyl)benzonitrile | A,B | 3EAI | 0.71 | ![]() |
KT5![]() | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO- PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO- 1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}- GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA- GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID | A,B | 1RC0 | 0.71 | ![]() |
KT5![]() | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO- PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO- 1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}- GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA- GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID | A,B | 1RBZ | 0.71 | ![]() |
KT5![]() | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO- PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO- 1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}- GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA- GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID | A,B | 1RBM | 0.71 | ![]() |
DFY![]() | (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN- 4-YLAMINO)-ACETIC | A | 2BRG | 0.72 | ![]() |
L24![]() | [[[2-AMINO-5,6,7,8-TETRAHYDRO-4- HYDROXY-PYRIDO[2,3-D]PYRIMIDIN- 6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID | A,B | 1DIA | 0.71 | ![]() |
L37![]() | A,B | 1DIG | 0.7 | ![]() | |
897![]() | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.7 | ![]() |
R78![]() | 4-{[(7R)-8-cyclopentyl-7-ethyl- 5-methyl-6-oxo-5,6,7,8-tetrahydropteridin- 2-yl]amino}-3-methoxy-N-(1-methylpiperidin- 4-yl)benzamide | A | 2RKU | 0.73 | ![]() |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BAC | 0.71 | ![]() |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BA9 | 0.71 | ![]() |
GIL![]() | 2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}- 4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN- 2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BENZOIC ACID | A,H,L,U | 2C4F | 0.7 | ![]() |
DFW![]() | N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN- 4-YL)GLYCINE | A | 2BRH | 0.72 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFR | 0.75 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1DAJ | 0.75 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFQ | 0.75 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFP | 0.75 | ![]() |
03R![]() | 2-({6-{3-[AMINO(IMINO)METHYL]PHENOXY}- 3,5-DIFLUORO-4-[(1-METHYL-3-PHENYLPROPYL)AMINO]- 2-PYRIDINYL}OXY)BENZOIC ACID | H,L | 2AEI | 0.7 | ![]() |
AZO![]() | METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN- 4-YL]OXY}PHENYL)-3-METHOXYACRYLATE | C,D,E | 1SQB | 0.77 | ![]() |
PLB![]() | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | A,D | 3DZU | 0.71 | ![]() |
PLB![]() | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | B | 2Q6S | 0.71 | ![]() |
PLB![]() | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | X | 1WM0 | 0.71 | ![]() |
UA4![]() | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2-METHYL-2H-1,4- BENZOXAZIN-3(4H)-ONE | A,B | 2I4Q | 0.71 | ![]() |
MR9![]() | 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN- 4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN- 4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2P4I | 0.71 | ![]() |