Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02170137
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 |
GVD![]() | [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL- 3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA- 2,5-DIEN-1-YL]ACETONITRILE | A | 2UV2 | 0.72 | ![]() |
GVD![]() | [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL- 3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA- 2,5-DIEN-1-YL]ACETONITRILE | A,B | 3GGF | 0.72 | ![]() |
GVD![]() | [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL- 3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA- 2,5-DIEN-1-YL]ACETONITRILE | A,B | 2VN9 | 0.72 | ![]() |
6IP![]() | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.71 | ![]() |
SB6![]() | 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL- 5-(4-PYRIDYL)-IMIDAZOLE | A | 1BL6 | 0.74 | ![]() |
KS5![]() | 1-(1-methylethyl)-3-quinolin-6- yl-1H-pyrazolo[3,4-d]pyrimidin- 4-amine | B | 3EN6 | 0.81 | ![]() |
LL1![]() | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.7 | ![]() |
LZL![]() | 7-(2,5-dihydropyrrol-1-yl)-6-phenyl- pyrido[6,5-d]pyrimidin-2-amine | A,B | 2V5A | 0.72 | ![]() |
IHH![]() | [4-({4-[(5-cyclopropyl-1H-pyrazol- 3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | A,B,C,D | 3F6X | 0.72 | ![]() |
RW1![]() | 4-phenylpyrimidine | A,B,C | 3B9S | 0.73 | ![]() |
SB2![]() | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 2EWA | 0.7 | ![]() |
SB2![]() | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 1A9U | 0.7 | ![]() |
SB2![]() | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 1PME | 0.7 | ![]() |
D94![]() | 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]- 1-(2-phenylquinolin-7-yl)imidazo[1,5- a]pyrazin-8-amine | A | 3D94 | 0.7 | ![]() |
CP9![]() | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN- 1-YL)BENZYL]-3H-BENZOTHIAZOL-2- ONE | A | 1TV6 | 0.72 | ![]() |
D13![]() | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | A | 1IAN | 0.7 | ![]() |
VGG![]() | 1-tert-butyl-3-(3-methylbenzyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A | 2WEI | 0.74 | ![]() |
6NP![]() | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3- (NAPHTHALEN-2-YL)-4-(PYRIDIN-4- YL)PYRAZINE | A | 1YQJ | 0.7 | ![]() |
FYX![]() | 4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL- 3-YL)PYRIDINE-2-CARBONITRILE | A,B | 1V97 | 0.77 | ![]() |
CK8![]() | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A,C | 2C5N | 0.7 | ![]() |
CK8![]() | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A | 1PXP | 0.7 | ![]() |
QPP![]() | N-(5-METHYL-1H-PYRAZOL-3-YL)-2- PHENYLQUINAZOLIN-4-AMINE | A,C | 2JC6 | 0.73 | ![]() |
CL3![]() | N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3- B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE | A | 1Y2G | 0.7 | ![]() |
654![]() | 4-(2-THIENYL)-1-(4-METHYLBENZYL)- 1H-IMIDAZOLE | A,B | 1I2Z | 0.7 | ![]() |
TPB![]() | 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)- PYRIMIDIN-2-YLAMINO]-BENZONITRILE | A | 1S6Q | 0.73 | ![]() |
PD5![]() | 1-{4-[4-amino-1-(1-methylethyl)- 1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL8 | 0.7 | ![]() |
KS1![]() | 1-cyclopentyl-3-(1H-pyrrolo[2,3- b]pyridin-5-yl)-1H-pyrazolo[3,4- d]pyrimidin-4-amine | A,B | 3EN4 | 0.72 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.71 | ![]() |
084![]() | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.7 | ![]() |
PP1![]() | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 2IVV | 0.73 | ![]() |
PP1![]() | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 1QCF | 0.73 | ![]() |
NPZ![]() | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4- d]pyrimidin-4-amine | A | 3ENE | 0.71 | ![]() |
LIH![]() | 6-([5-QUINOLYLAMINO]METHYL)-2,4- DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | A | 1KMS | 0.73 | ![]() |
PMD![]() | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]- DIBENZ[B,F]AZEPINE | A | 1KLK | 0.71 | ![]() |
SX8![]() | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3- b]pyridazin-3-yl]sulfanyl}quinoline | A | 3DKG | 0.83 | ![]() |
SX8![]() | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3- b]pyridazin-3-yl]sulfanyl}quinoline | A | 3DKF | 0.83 | ![]() |
UI2![]() | 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE- 2-CARBOXIMIDAMIDE | A | 1SQO | 0.71 | ![]() |
FTL![]() | 4-[(3-CYANO-BENZYL)-(3-METHYL-3H- IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN- 1-YL-BENZONITRILE | B | 1NL4 | 0.71 | ![]() |
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 | ![]() |
PIQ![]() | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.76 | ![]() |
PIQ![]() | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.76 | ![]() |
T27![]() | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 2ZD1 | 0.73 | ![]() |
T27![]() | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A | 2ZE2 | 0.73 | ![]() |
T27![]() | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 3BGR | 0.73 | ![]() |
L1B![]() | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM | A,B | 2G21 | 0.74 | ![]() |
KSL![]() | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZYB | 0.72 | ![]() |
MQU![]() | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]- 7H-PYRROLO[3,2-F] QUINAZOLINE-1,3- DIAMINE | A,B | 1M7A | 0.7 | ![]() |
CK4![]() | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.74 | ![]() |
CK4![]() | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.74 | ![]() |
STS![]() | 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]- 1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM | A | 1Y8J | 0.73 | ![]() |
CQU![]() | N-[2-(5-methyl-4H-1,2,4-triazol- 3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin- 4-amine | A | 3CQU | 0.73 | ![]() |
JN5![]() | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.71 | ![]() |
HYZ![]() | N-[1-(3-fluorobenzyl)-1H-indazol- 5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine- 4,6-diamine | A | 2RGP | 0.71 | ![]() |
PB9![]() | methyl 4-{[{(3S)-6-cyano-1-[(1- methyl-1H-imidazol-5-yl)methyl]- 1,2,3,4-tetrahydroquinolin-3-yl}(pyridin- 2-ylsulfonyl)amino]methyl}piperidine- 1-carboxylate | B | 2R2L | 0.71 | ![]() |
CKE![]() | 1-{7-cyclohexyl-6-[4-(4-methylpiperazin- 1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin- 2-yl}methanamine | A | 2R6N | 0.73 | ![]() |
SB5![]() | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL- 5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE | A | 1BMK | 0.72 | ![]() |
GIQ![]() | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2G | 0.75 | ![]() |
GIQ![]() | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2H | 0.75 | ![]() |
GIQ![]() | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2HKC | 0.75 | ![]() |
K10![]() | 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | L | 2PIP | 0.73 | ![]() |
PY1![]() | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.71 | ![]() |
855![]() | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.74 | ![]() |
SC9![]() | 6-(2-fluorophenyl)-N-(pyridin-3- ylmethyl)imidazo[1,2-a]pyrazin- 8-amine | A | 2R3G | 0.71 | ![]() |
TH4![]() | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.7 | ![]() |
GW3![]() | 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2- F]QUINAZOLINE-1,3-DIAMINE | A,B | 1AOE | 0.74 | ![]() |
QIG![]() | N-1H-indazol-5-yl-2-(6-methylpyridin- 2-yl)quinazolin-4-amine | A | 3GXL | 0.71 | ![]() |