Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03000539
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 |
MBC![]() | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I2I | 0.71 | ![]() |
NHR![]() | 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN- 6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}- PENTANEDIOIC ACID | A,B | 1C3E | 0.7 | ![]() |
447![]() | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.75 | ![]() |
PFH![]() | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN- 1-YL]QUINAZOLINE | A | 2OVV | 0.72 | ![]() |
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 | 0.73 | ![]() |
MMB![]() | (2R,3E)-2-{4-[(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)METHOXY]BENZYL}- 3-(PROPOXYIMINO)BUTANOIC ACID | A,C | 2NPA | 0.7 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 3FQ0 | 0.74 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A,B | 3E0B | 0.74 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 2KGK | 0.74 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A,B | 3CSE | 0.74 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 3FQO | 0.74 | ![]() |
65B![]() | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN- 4-YL}OXY)-3,5-DIMETHYLBENZONITRILE | A | 1SV5 | 0.73 | ![]() |
979![]() | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- D]PYRIMIDIN-4-AMINE | A | 2OF4 | 0.72 | ![]() |
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 | 0.75 | ![]() |
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 | 0.71 | ![]() |
PFQ![]() | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN- 4-YL)AMINO]ETHANOL | A | 2BRB | 0.72 | ![]() |
319![]() | N-({4-[(2-aminopyridin-4-yl)oxy]- 3-fluorophenyl}carbamoyl)-2-(4- fluorophenyl)acetamide | A | 3CTH | 0.71 | ![]() |
HPM![]() | N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN- 1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN- 4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE | A,B | 2C6E | 0.7 | ![]() |
DD3![]() | 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline- 2,4-diamine | A,B | 3BLA | 0.73 | ![]() |
DFY![]() | (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN- 4-YLAMINO)-ACETIC | A | 2BRG | 0.74 | ![]() |
55V![]() | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A,B | 3FQC | 0.71 | ![]() |
55V![]() | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A | 3FQF | 0.71 | ![]() |
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 | 0.74 | ![]() |
877![]() | N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN- 2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE | A,B | 2GMX | 0.71 | ![]() |
J80![]() | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBB | 0.78 | ![]() |
J80![]() | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE | 1,4 | 1PO1 | 0.78 | ![]() |
HT1![]() | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A,B | 403D | 0.71 | ![]() |
HT1![]() | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A | 129D | 0.71 | ![]() |
HT1![]() | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A,B | 130D | 0.71 | ![]() |
HT1![]() | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A | 3F8C | 0.71 | ![]() |
11F![]() | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQV | 0.74 | ![]() |
11F![]() | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQZ | 0.74 | ![]() |
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 | ![]() |
T12![]() | 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]- 1H-BENZIMIDAZOL-5-YL PIVALATE | A,B,C,D | 2NRU | 0.7 | ![]() |
LIF![]() | N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3- D]PYRIMIDIN-5-YL]PHENYL}-N'-[2- FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | A | 1YWN | 0.77 | ![]() |
MT4![]() | 5-{4-[(6,7-dimethoxyquinolin-4- yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]- 3-methylpyrimidin-4(3H)-one | A,B | 3EFK | 0.71 | ![]() |
3IG![]() | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1R | 0.71 | ![]() |
J78![]() | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBE | 0.79 | ![]() |
J78![]() | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBA | 0.79 | ![]() |
J78![]() | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBD | 0.79 | ![]() |
BI5![]() | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.72 | ![]() |
312![]() | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-2'-METHOXY-6- OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE | A | 1O2Z | 0.75 | ![]() |
4MR![]() | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN- 2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)- TRIONE | A,B | 2OVX | 0.7 | ![]() |
HXL![]() | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | G | 2FJV | 0.71 | ![]() |
HXL![]() | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | B | 2FJX | 0.71 | ![]() |
DH1![]() | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE | A | 2FZH | 0.72 | ![]() |
ST8![]() | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)- 5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE | A,B,C,D | 1OGU | 0.73 | ![]() |
7IP![]() | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.74 | ![]() |
320![]() | 2-(4-fluorophenyl)-N-{[3-fluoro- 4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | A | 3CTJ | 0.7 | ![]() |
PGJ![]() | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)- 3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN- 4-YL]ISOXAZOL-5(2H)-ONE | A | 1YW2 | 0.74 | ![]() |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BAC | 0.81 | ![]() |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BA9 | 0.81 | ![]() |
544![]() | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1K74 | 0.71 | ![]() |
544![]() | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,C,E,G | 1K7L | 0.71 | ![]() |
1SM![]() | METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN- 2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | A,B | 1T9C | 0.72 | ![]() |
1SM![]() | METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN- 2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | A | 1YI0 | 0.72 | ![]() |
AZO![]() | METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN- 4-YL]OXY}PHENYL)-3-METHOXYACRYLATE | C,D,E | 1SQB | 0.78 | ![]() |
COG![]() | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]QUINAZOLINE | A | 1LY3 | 0.74 | ![]() |
AK5![]() | 3-({3-[(6-amino-5-bromopyrimidin- 4-yl)sulfanyl]propanoyl}amino)- 4-methoxy-N-phenylbenzamide | A | 3DJ5 | 0.71 | ![]() |
AK8![]() | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin- 4-yl]pyridin-2-yl}oxy)phenyl]-3- [3-(trifluoromethyl)phenyl]urea | A,B | 3EFW | 0.73 | ![]() |
DD1![]() | 5-{[1-(2-fluorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL7 | 0.73 | ![]() |
570![]() | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1RDT | 0.7 | ![]() |
570![]() | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1FM9 | 0.7 | ![]() |
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 | 0.75 | ![]() |
310![]() | N-carbamimidoyl-2-[2-(2-chlorophenyl)- 5-[4-(4-ethanoylphenoxy)phenyl]pyrrol- 1-yl]ethanamide | A | 2ZDZ | 0.71 | ![]() |
3B8![]() | 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3- b]pyridine-3-carboxamide | A | 3BA8 | 0.71 | ![]() |
AQ4![]() | [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE- 4-YL]-(3-ETHYNYLPHENYL)AMINE | A | 1M17 | 0.7 | ![]() |
5AP![]() | 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)- 2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN- 4-AMINE | A,B | 1RWQ | 0.72 | ![]() |
185![]() | (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]- 2-{[4-(AMINOMETHYL)PHENYL]AMINO}- 5-BROMOPYRIMIDIN-4-YL)METHANOL | A | 1SUQ | 0.71 | ![]() |
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 | ![]() |
BZC![]() | A | 1EFY | 0.73 | ![]() | |
MQ1![]() | 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE | A,B | 1M79 | 0.76 | ![]() |
DFW![]() | N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN- 4-YL)GLYCINE | A | 2BRH | 0.74 | ![]() |
L5G![]() | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3- b]pyridazin-3-yl)methoxy]quinoline | A | 3CD8 | 0.7 | ![]() |
G6H![]() | N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]- 1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}- 3-(trifluoromethyl)benzamide | B | 3G6H | 0.73 | ![]() |
J77![]() | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE | 1,4 | 1PO2 | 0.78 | ![]() |
J77![]() | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBC | 0.78 | ![]() |
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 | 0.75 | ![]() |
53R![]() | 5-[(3R)-3-(5-methoxybiphenyl-3- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | X | 3F0B | 0.74 | ![]() |
53R![]() | 5-[(3R)-3-(5-methoxybiphenyl-3- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | X | 3F0U | 0.74 | ![]() |
DRJ![]() | (2R)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4J | 0.72 | ![]() |
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 | 0.73 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFR | 0.72 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1DAJ | 0.72 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFQ | 0.72 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFP | 0.72 | ![]() |
BI9![]() | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE | A | 2JKK | 0.72 | ![]() |
W11![]() | 3-{3,5-DIMETHYL-4-[3-(3-METHYL- ISOXAZOL-5-YL)-PROPOXY]-PHENYL}- 5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | A,D | 1NCR | 0.71 | ![]() |
W11![]() | 3-{3,5-DIMETHYL-4-[3-(3-METHYL- ISOXAZOL-5-YL)-PROPOXY]-PHENYL}- 5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | A | 1NA1 | 0.71 | ![]() |
W11![]() | 3-{3,5-DIMETHYL-4-[3-(3-METHYL- ISOXAZOL-5-YL)-PROPOXY]-PHENYL}- 5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | A | 1ND3 | 0.71 | ![]() |
W11![]() | 3-{3,5-DIMETHYL-4-[3-(3-METHYL- ISOXAZOL-5-YL)-PROPOXY]-PHENYL}- 5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | 1 | 1C8M | 0.71 | ![]() |
W11![]() | 3-{3,5-DIMETHYL-4-[3-(3-METHYL- ISOXAZOL-5-YL)-PROPOXY]-PHENYL}- 5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | A | 1NCQ | 0.71 | ![]() |
859![]() | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.7 | ![]() |
DRH![]() | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4P | 0.72 | ![]() |
DRH![]() | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4Z | 0.72 | ![]() |
MT3![]() | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin- 4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin- 4(3H)-one | A,B | 3EFJ | 0.71 | ![]() |
PFP![]() | 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3- D]PYRIMIDIN-4-YLAMINO]-ETHANOL | A | 2BR1 | 0.76 | ![]() |
608![]() | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.73 | ![]() |