Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02480521
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 |
I40![]() | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.72 | ![]() |
TPB![]() | 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)- PYRIMIDIN-2-YLAMINO]-BENZONITRILE | A | 1S6Q | 0.72 | ![]() |
RBS![]() | N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)- ACRYLAMIDE | A,B | 2HWO | 0.73 | ![]() |
KSL![]() | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZYB | 0.71 | ![]() |
CKE![]() | 1-{7-cyclohexyl-6-[4-(4-methylpiperazin- 1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin- 2-yl}methanamine | A | 2R6N | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.76 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.76 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.76 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.76 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.76 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.76 | ![]() |
6SC![]() | 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3R | 0.73 | ![]() |
MQ0![]() | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.79 | ![]() |
SN6![]() | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.7 | ![]() |
PD3![]() | 1-{3-[(4-amino-1-cyclopentyl-1H- pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL7 | 0.71 | ![]() |
7I2![]() | 7-NITROINDAZOLE-2-CARBOXAMIDINE | A,B | 1FOJ | 0.74 | ![]() |
PRM![]() | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.72 | ![]() |
HM2![]() | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)- 2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | A | 2G6P | 0.72 | ![]() |
2PT![]() | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.73 | ![]() |
DCU![]() | A,B | 1J07 | 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 | ![]() |
6NP![]() | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3- (NAPHTHALEN-2-YL)-4-(PYRIDIN-4- YL)PYRAZINE | A | 1YQJ | 0.74 | ![]() |
MM0![]() | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.74 | ![]() |
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 | ![]() |
QMS![]() | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.7 | ![]() |
KSM![]() | N-(2-chloro-6-methylphenyl)-8-[(3S)- 3-methylpiperazin-1-yl]imidazo[1,5- a]quinoxalin-4-amine | A | 2ZM4 | 0.7 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.71 | ![]() |
SM5![]() | (1E)-5-(1-piperidin-4-yl-3-pyridin- 4-yl-1H-pyrazol-4-yl)-2,3-dihydro- 1H-inden-1-one oxime | A,B | 3D4Q | 0.71 | ![]() |
SCX![]() | N-((2-aminopyrimidin-5-yl)methyl)- 5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3M | 0.71 | ![]() |
PD5![]() | 1-{4-[4-amino-1-(1-methylethyl)- 1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL8 | 0.72 | ![]() |
UNN![]() | (6,7-DIFLUORO-QUINAZOLIN-4-YL)- (1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE | A,B,C | 5STD | 0.74 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.71 | ![]() |
P63![]() | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | A | 2PVN | 0.71 | ![]() |
OA4![]() | 5-methyl-6-phenylquinazoline-2,4- diamine | A | 2W6P | 0.72 | ![]() |
D23![]() | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)- 2-(TRIFLUOROMETHYL)QUINAZOLIN-4- AMINE | A | 2B53 | 0.72 | ![]() |
NSC![]() | N,N'-BIS(4-AMINO-2-METHYLQUINOLIN- 6-YL)UREA | A,B | 1PWP | 0.78 | ![]() |
BMO![]() | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.73 | ![]() |
QPP![]() | N-(5-METHYL-1H-PYRAZOL-3-YL)-2- PHENYLQUINAZOLIN-4-AMINE | A,C | 2JC6 | 0.73 | ![]() |
1AU![]() | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-naphthalen-1- ylurea | A | 3F3T | 0.7 | ![]() |
SB4![]() | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 1BL7 | 0.73 | ![]() |
SB4![]() | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 3ERK | 0.73 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 1LIH | 0.72 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 2LIG | 0.72 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.72 | ![]() |
2SC![]() | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5- a]pyrimidin-3-yl)methanol | A | 2R3O | 0.7 | ![]() |
255![]() | N-(tert-butyl)-4-[5-(pyridin-2- ylamino)quinolin-3-yl]benzenesulfonamide | A,B | 2R9S | 0.75 | ![]() |
UI2![]() | 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE- 2-CARBOXIMIDAMIDE | A | 1SQO | 0.75 | ![]() |
DPT![]() | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.73 | ![]() |
55F![]() | N-[4-(5-fluoro-6-methylpyridin- 2-yl)-5-quinoxalin-6-yl-1H-imidazol- 2-yl]acetamide | A,B,C,D,E | 3FAA | 0.72 | ![]() |
POX![]() | 4-amino-6-{[1-(3-fluorobenzyl)- 1H-indazol-5-yl]amino}pyrimidine- 5-carbaldehyde O-(2-methoxyethyl)oxime | A | 3BEL | 0.75 | ![]() |
SCJ![]() | 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3J | 0.73 | ![]() |
IHH![]() | [4-({4-[(5-cyclopropyl-1H-pyrazol- 3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | A,B,C,D | 3F6X | 0.71 | ![]() |
5MS![]() | N-{2-methyl-5-[(6-phenylpyrimidin- 4-yl)amino]phenyl}methanesulfonamide | A | 3EXO | 0.7 | ![]() |
AA7![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.74 | ![]() |
F29![]() | 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5- A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4- C]PYRIDAZIN-3-AMINE | A | 1WZY | 0.72 | ![]() |
855![]() | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.78 | ![]() |
P55![]() | 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVL | 0.74 | ![]() |
PMD![]() | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]- DIBENZ[B,F]AZEPINE | A | 1KLK | 0.76 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.73 | ![]() |
LL1![]() | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.71 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.7 | ![]() |
L1B![]() | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM | A,B | 2G21 | 0.74 | ![]() |
TZ5![]() | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q83 | 0.77 | ![]() |
D94![]() | 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]- 1-(2-phenylquinolin-7-yl)imidazo[1,5- a]pyrazin-8-amine | A | 3D94 | 0.71 | ![]() |
T74![]() | N~3~-(2,6-dimethylphenyl)-1-(3- methoxy-3-methylbutyl)-N~6~-(4- piperazin-1-ylphenyl)-1H-pyrazolo[3,4- d]pyrimidine-3,6-diamine | A,B | 3EQR | 0.73 | ![]() |
MOJ![]() | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin- 3-ylphenyl)-4-methyl-7,8-dihydroquinazolin- 5(6H)-one oxime | A | 3FT8 | 0.74 | ![]() |
GW3![]() | 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2- F]QUINAZOLINE-1,3-DIAMINE | A,B | 1AOE | 0.72 | ![]() |
KS5![]() | 1-(1-methylethyl)-3-quinolin-6- yl-1H-pyrazolo[3,4-d]pyrimidin- 4-amine | B | 3EN6 | 0.77 | ![]() |
P45![]() | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVK | 0.71 | ![]() |
SCQ![]() | 3-bromo-5-phenyl-N-(pyrimidin-5- ylmethyl)pyrazolo[1,5-a]pyridin- 7-amine | A | 2R3K | 0.71 | ![]() |
KS1![]() | 1-cyclopentyl-3-(1H-pyrrolo[2,3- b]pyridin-5-yl)-1H-pyrazolo[3,4- d]pyrimidin-4-amine | A,B | 3EN4 | 0.71 | ![]() |
2FR![]() | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.75 | ![]() |
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 | 0.7 | ![]() |
5BP![]() | N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin- 3-ylpyrimidin-2-amine | A,C | 3EJ1 | 0.73 | ![]() |
P19![]() | N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE- 2,4-DIAMINE | A | 2PVH | 0.73 | ![]() |
084![]() | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.73 | ![]() |
DZO![]() | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5- a]pyrimidin-5-amine | A | 3E7V | 0.74 | ![]() |
GIQ![]() | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2G | 0.74 | ![]() |
GIQ![]() | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2H | 0.74 | ![]() |
GIQ![]() | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2HKC | 0.74 | ![]() |
EZV![]() | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A,C,D | 3F5X | 0.72 | ![]() |
EZV![]() | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A | 3EZV | 0.72 | ![]() |
T27![]() | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 2ZD1 | 0.72 | ![]() |
T27![]() | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A | 2ZE2 | 0.72 | ![]() |
T27![]() | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 3BGR | 0.72 | ![]() |
PY1![]() | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.76 | ![]() |
SCF![]() | 5-(2-fluorophenyl)-N-(pyridin-4- ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3I | 0.74 | ![]() |
RW1![]() | 4-phenylpyrimidine | A,B,C | 3B9S | 0.71 | ![]() |
5SC![]() | 3-((3-bromo-5-o-tolylpyrazolo[1,5- a]pyrimidin-7-ylamino)methyl)pyridine 1- oxide | A | 2R3Q | 0.72 | ![]() |
F11![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.74 | ![]() |
P44![]() | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVJ | 0.75 | ![]() |
QIG![]() | N-1H-indazol-5-yl-2-(6-methylpyridin- 2-yl)quinazolin-4-amine | A | 3GXL | 0.81 | ![]() |
CLQ![]() | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.7 | ![]() |
SCZ![]() | 3-cyclopropyl-5-phenyl-N-(pyridin- 3-ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3N | 0.74 | ![]() |
TZ4![]() | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q84 | 0.77 | ![]() |
LIH![]() | 6-([5-QUINOLYLAMINO]METHYL)-2,4- DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | A | 1KMS | 0.77 | ![]() |
SR2![]() | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin- 6-yl}-4-(dimethylamino)but-2-enamide | A,B | 2QQ7 | 0.7 | ![]() |
SR2![]() | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin- 6-yl}-4-(dimethylamino)but-2-enamide | A,B | 2QLQ | 0.7 | ![]() |
8IP![]() | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.72 | ![]() |
TAQ![]() | 2,4,6-TRIAMINOQUINAZOLINE | A,B,C,D,E,F, G,H | 1W0C | 0.72 | ![]() |
HYZ![]() | N-[1-(3-fluorobenzyl)-1H-indazol- 5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine- 4,6-diamine | A | 2RGP | 0.79 | ![]() |