Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02719157
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 |
LII![]() | (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN- 1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3- D]PYRIMIDINE | A | 1KMV | 0.7 | ![]() |
RB1![]() | 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)METHYL]PHENOL | A | 2PIQ | 0.73 | ![]() |
KIM![]() | N~4~-methyl-N~4~-(3-methyl-1H-indazol- 6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJG | 0.73 | ![]() |
G96![]() | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(2R)-2-amino- 3-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B,C,D,E,F | 3E8C | 0.71 | ![]() |
G96![]() | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(2R)-2-amino- 3-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B | 3E88 | 0.71 | ![]() |
MFR![]() | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHT | 0.71 | ![]() |
972![]() | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO- 1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2P | 0.71 | ![]() |
PU5![]() | 9-BUTYL-8-(3-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY8 | 0.71 | ![]() |
QUN![]() | QUINACRINE | A,B | 1JQE | 0.72 | ![]() |
LIC![]() | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHM | 0.7 | ![]() |
PU9![]() | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)- 9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE | A | 1UYE | 0.7 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHJ | 0.73 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHM | 0.73 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 1WMA | 0.73 | ![]() |
MQ1![]() | 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE | A,B | 1M79 | 0.77 | ![]() |
PU4![]() | 9-BUTYL-8-(4-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY7 | 0.71 | ![]() |
PUZ![]() | 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO- 9-PENT-9H-PURIN-6-YLAMINE | A | 1UYI | 0.7 | ![]() |
DTQ![]() | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.71 | ![]() |
PFH![]() | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN- 1-YL]QUINAZOLINE | A | 2OVV | 0.73 | ![]() |
R03![]() | ALLYL-{6-[3-(4-BROMO-PHENYL)-1- METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)- N-METHYLAMINE | A,B,C | 1H39 | 0.71 | ![]() |
PU1![]() | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)- 2-FLUORO-9-PENT-4-YLNYL-9H-PURIN- 6-YLAMINE | A | 1UYF | 0.71 | ![]() |
711![]() | 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN- 4-YL]OXY]-2-METHYL-BENZIMIDAZOL- 1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID | A | 1QBO | 0.7 | ![]() |
PRD![]() | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE | A | 1BOZ | 0.72 | ![]() |
5FR![]() | 4-({1-[3-(3-amino-3-oxopropyl)- 5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3- c]pyridin-6-yl}amino)-3-methoxy- N-(1-methylpiperidin-4-yl)benzamide | A | 3DBF | 0.7 | ![]() |
AQ4![]() | [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE- 4-YL]-(3-ETHYNYLPHENYL)AMINE | A | 1M17 | 0.72 | ![]() |
KS4![]() | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A,B | 3EN5 | 0.76 | ![]() |
R8E![]() | 3-{5-[(6-amino-1H-pyrazolo[3,4- b]pyridin-3-yl)methoxy]-2-chlorophenoxy}- 5-chlorobenzonitrile | A | 3DRP | 0.78 | ![]() |
R8E![]() | 3-{5-[(6-amino-1H-pyrazolo[3,4- b]pyridin-3-yl)methoxy]-2-chlorophenoxy}- 5-chlorobenzonitrile | A | 3DRR | 0.78 | ![]() |
T2A![]() | 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1- f][1,2,4]triazin-2-amine | A,C | 3EOC | 0.71 | ![]() |
PU0![]() | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)- 2-FLUORO-9H-PURIN-6-YLAMINE | A | 1UYH | 0.72 | ![]() |
G98![]() | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(1S)-3-amino- 1-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B,E,I,L,P | 3E8E | 0.72 | ![]() |
G98![]() | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(1S)-3-amino- 1-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B | 3E8D | 0.72 | ![]() |
PU8![]() | 9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY- BENZYL)-9H-PURIN-6-YLAMINE | A | 1UYD | 0.72 | ![]() |
DD1![]() | 5-{[1-(2-fluorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL7 | 0.74 | ![]() |
DD3![]() | 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline- 2,4-diamine | A,B | 3BLA | 0.8 | ![]() |
DD2![]() | 5-{[1-(2,3-dichlorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL9 | 0.77 | ![]() |
SAV![]() | N~4~-(3-methyl-1H-indazol-6-yl)- N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJF | 0.73 | ![]() |
EZR![]() | 3-methoxy-4-{3-[4-(4-methylpiperazin- 1-yl)-1H-benzimidazol-2-yl]-1H- indazol-6-yl}aniline | A | 3EZR | 0.73 | ![]() |
FRI![]() | 2-GUANIDINO-4-METHYL-PENTANOIC ACID [2- (4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)- 2,3-DICHLORO-PHENYL]-2-METHYL-2H- PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2- OXO-ETHYL]-AMIDE | A,B,C,D | 1QVN | 0.7 | ![]() |
S03![]() | 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN- 4-OL | A,B | 1YOL | 0.71 | ![]() |
ABJ![]() | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 3EN7 | 0.72 | ![]() |
ABJ![]() | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 2V4L | 0.72 | ![]() |
GW7![]() | N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}- 6-ethylthieno[3,2-d]pyrimidin-4- amine | A,B | 2R4B | 0.75 | ![]() |
PO5![]() | (2S)-1-(dimethylamino)-3-(4-{[4- (6-morpholin-4-ylpyrazolo[1,5-b]pyridazin- 3-yl)pyrimidin-2-yl]amino}phenoxy)propan- 2-ol | A | 3EID | 0.73 | ![]() |
PU7![]() | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)- 9H-PURIN-6-YLAMINE | A | 1UYC | 0.71 | ![]() |
COG![]() | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]QUINAZOLINE | A | 1LY3 | 0.77 | ![]() |
5AP![]() | 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)- 2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN- 4-AMINE | A,B | 1RWQ | 0.73 | ![]() |
MHR![]() | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHU | 0.72 | ![]() |
L5G![]() | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3- b]pyridazin-3-yl)methoxy]quinoline | A | 3CD8 | 0.78 | ![]() |
B96![]() | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 3FZS | 0.7 | ![]() |
B96![]() | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 1KV2 | 0.7 | ![]() |
MXA![]() | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1U71 | 0.71 | ![]() |
MXA![]() | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1DLR | 0.71 | ![]() |
R8D![]() | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4- b]pyridin-3-ylmethoxy)phenoxy]benzonitrile | A | 3DRS | 0.78 | ![]() |
6CP![]() | A,C | 1H1R | 0.7 | ![]() | |
7X1![]() | N-(5-chloro-1,3-benzodioxol-4-yl)- 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin- 4-amine | A | 2VWU | 0.74 | ![]() |
H8H![]() | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)- 7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]- 5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN- 4-AMINE | A | 2H8H | 0.71 | ![]() |
L09![]() | N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)- N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | A | 1WBN | 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 | 0.72 | ![]() |