Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00060782
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 |
SCQ | 3-bromo-5-phenyl-N-(pyrimidin-5- ylmethyl)pyrazolo[1,5-a]pyridin- 7-amine | A | 2R3K | 0.72 | |
UNN | (6,7-DIFLUORO-QUINAZOLIN-4-YL)- (1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE | A,B,C | 5STD | 0.72 | |
5CP | [4-({4-[(5-cyclopropyl-1H-pyrazol- 3-yl)amino]-6-(methylamino)pyrimidin- 2-yl}amino)phenyl]acetonitrile | A,B | 3BHH | 0.72 | |
C2M | 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE- 2,4-DIAMINE | A,B | 2AOV | 0.75 | |
THA | TACRINE | A,B | 2AOW | 0.71 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.71 | |
THA | TACRINE | A,B | 2AOX | 0.71 | |
THA | TACRINE | A | 1ACJ | 0.71 | |
AS3 | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.76 | |
LZJ | 6-(2,6-dibromophenyl)pyrido[2,3- d]pyrimidine-2,7-diamine | A,B | 2V58 | 0.72 | |
HM2 | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)- 2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | A | 2G6P | 0.72 | |
LIY | 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)- 2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN- 7-YL]PYRIMIDINE-2,4-DIAMINE | A,B | 2IKU | 0.72 | |
BBZ | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 447D | 0.7 | |
BBZ | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 1QV8 | 0.7 | |
CP7 | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLC | 0.83 | |
CP7 | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLB | 0.83 | |
977 | 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN- 4-OL | A | 1RSI | 0.77 | |
6IG | 6-ETHYL-5-[1-(3-METHOXYPROPYL)- 1,2,3,4-TETRAHYDROQUINOLIN-7-YL]- N~4~-(2-PHENYLETHYL)PYRIMIDINE- 2,4-DIAMINE | A,B | 2G22 | 0.72 | |
DMD | 5,6-DIMETHYLBENZIMIDAZOLE | A | 1D0S | 0.71 | |
QPP | N-(5-METHYL-1H-PYRAZOL-3-YL)-2- PHENYLQUINAZOLIN-4-AMINE | A,C | 2JC6 | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9B | 0.71 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9C | 0.71 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUG | 0.71 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9A | 0.71 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1T | 0.71 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9D | 0.71 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | H,I | 1C1V | 0.71 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1S | 0.71 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUK | 0.71 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | H,I | 1C1U | 0.72 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1R | 0.72 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1P | 0.72 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1Q | 0.72 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.71 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.71 | |
TAQ | 2,4,6-TRIAMINOQUINAZOLINE | A,B,C,D,E,F, G,H | 1W0C | 0.82 | |
TPB | 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)- PYRIMIDIN-2-YLAMINO]-BENZONITRILE | A | 1S6Q | 0.74 | |
LIH | 6-([5-QUINOLYLAMINO]METHYL)-2,4- DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | A | 1KMS | 0.71 | |
GVI | N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVY | 0.7 | |
RBS | N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)- ACRYLAMIDE | A,B | 2HWO | 0.72 | |
ABI | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.71 | |
TQ3 | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE | A,B | 1IA1 | 0.74 | |
7IG | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2IKO | 0.8 | |
7IG | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2G24 | 0.8 | |
A91 | 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN- 4-YL)ETHYNYL]BENZYL}AMINO)-1,3- OXAZOL-2(3H)-ONE | A | 2QG2 | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.71 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.71 | |
SR2 | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin- 6-yl}-4-(dimethylamino)but-2-enamide | A,B | 2QQ7 | 0.76 | |
SR2 | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin- 6-yl}-4-(dimethylamino)but-2-enamide | A,B | 2QLQ | 0.76 | |
UI2 | 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE- 2-CARBOXIMIDAMIDE | A | 1SQO | 0.73 | |
AX5 | 6-(benzylsulfanyl)pyrimidine-2,4- diamine | A,B,C,D | 3BMQ | 0.7 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.71 | |
WAI | 4-{2-[4-(2-AMINOETHYL)PIPERAZIN- 1-YL]PYRIDIN-4-YL}-N-(3-CHLORO- 4-METHYLPHENYL)PYRIMIDIN-2-AMINE | A | 1Y2F | 0.71 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BLA | 0.78 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BL9 | 0.78 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A,B,C,D | 1J3J | 0.78 | |
CT8 | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN- 1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)- 1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5- A]PYRIMIDIN-7-AMINE | A | 2C69 | 0.73 | |
TQ4 | 5-[(4-METHYLPHENYL)SULFANYL]-2,4- QUINAZOLINEDIAMINE | A,B | 1IA2 | 0.74 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 2ZD1 | 0.74 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A | 2ZE2 | 0.74 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 3BGR | 0.74 | |
SB4 | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 1BL7 | 0.71 | |
SB4 | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 3ERK | 0.71 | |
DX2 | 6-phenylpteridine-2,4,7-triamine | A,B,C,D | 3BME | 0.73 | |
AX4 | 6-[(4-methylphenyl)sulfanyl]pyrimidine- 2,4-diamine | A,B,C,D | 3BMO | 0.72 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.76 | |
5MS | N-{2-methyl-5-[(6-phenylpyrimidin- 4-yl)amino]phenyl}methanesulfonamide | A | 3EXO | 0.75 | |
RW1 | 4-phenylpyrimidine | A,B,C | 3B9S | 0.79 | |
855 | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.73 | |
PRL | PROFLAVIN | H,I | 1BCU | 0.71 | |
PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.71 | |
PRL | PROFLAVIN | A,B | 2KD4 | 0.71 | |
PRL | PROFLAVIN | A | 1QVU | 0.71 | |
DJK | N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN- 6-YL]-ACRYLAMIDE | A | 2J5F | 0.77 | |
DJK | N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN- 6-YL]-ACRYLAMIDE | A,B | 2HWP | 0.77 | |
OA4 | 5-methyl-6-phenylquinazoline-2,4- diamine | A | 2W6P | 0.79 | |
5MB | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.73 | |
SB5 | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL- 5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE | A | 1BMK | 0.7 | |
NSC | N,N'-BIS(4-AMINO-2-METHYLQUINOLIN- 6-YL)UREA | A,B | 1PWP | 0.71 | |
D23 | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)- 2-(TRIFLUOROMETHYL)QUINAZOLIN-4- AMINE | A | 2B53 | 0.76 | |
AP6 | 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE | A,B | 1DMK | 0.74 | |
CLZ | 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE | A,B | 1M78 | 0.75 | |
CT6 | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN- 1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)- 1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN- 7-AMINE | A | 2C68 | 0.72 | |
TQ5 | 5-[4-TERT-BUTYLPHENYLSULFANYL]- 2,4-QUINAZOLINEDIAMINE | A,B | 1IA3 | 0.71 |