Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03245056
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 |
QQQ![]() | 1-(1-methylethyl)-1H-benzimidazole- 2-sulfonic acid | A,B,C,D | 3GNC | 0.72 | ![]() |
C53![]() | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.7 | ![]() |
AYM![]() | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL- N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE | A,B | 1LXC | 0.73 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.72 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.75 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.75 | ![]() |
SCF![]() | 5-(2-fluorophenyl)-N-(pyridin-4- ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3I | 0.71 | ![]() |
RW1![]() | 4-phenylpyrimidine | A,B,C | 3B9S | 0.74 | ![]() |
C4E![]() | N-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-amine | A,B,C,D | 3C4E | 0.75 | ![]() |
SB6![]() | 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL- 5-(4-PYRIDYL)-IMIDAZOLE | A | 1BL6 | 0.75 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.76 | ![]() |
SCJ![]() | 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3J | 0.7 | ![]() |
SB4![]() | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 1BL7 | 0.7 | ![]() |
SB4![]() | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 3ERK | 0.7 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.82 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.82 | ![]() |
C4C![]() | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.79 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.73 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.73 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.73 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2IZT | 0.71 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2CDZ | 0.71 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A,B | 2F57 | 0.71 | ![]() |
6SC![]() | 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3R | 0.7 | ![]() |
8IP![]() | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.71 | ![]() |
CK2![]() | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A,C | 2C5O | 0.71 | ![]() |
CK2![]() | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A | 1PXJ | 0.71 | ![]() |
9DA![]() | 9-DEAZAADENINE | A | 1L1R | 0.78 | ![]() |
9DA![]() | 9-DEAZAADENINE | A | 1L1Q | 0.78 | ![]() |
SC9![]() | 6-(2-fluorophenyl)-N-(pyridin-3- ylmethyl)imidazo[1,2-a]pyrazin- 8-amine | A | 2R3G | 0.77 | ![]() |
CBQ![]() | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1S | 0.73 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A,B | 1CTE | 0.71 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A | 2IPP | 0.71 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.76 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.76 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.76 | ![]() |
L23![]() | 4-[1-(2,6-dichlorobenzyl)-2-methyl- 1H-imidazol-4-yl]pyrimidin-2-amine | A,C | 2W71 | 0.72 | ![]() |
HDU![]() | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.77 | ![]() |
1BY![]() | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.79 | ![]() |
D4G![]() | A,B,C,D | 2FDY | 0.72 | ![]() | |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.71 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.71 | ![]() |
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 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.76 | ![]() |
IM4![]() | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.73 | ![]() |
IM4![]() | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.73 | ![]() |
IMB![]() | [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1R | 0.7 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.76 | ![]() |
JNF![]() | N-cyclohexyl-4-imidazo[1,2-a]pyridin- 3-yl-N-methylpyrimidin-2-amine | A | 3CGF | 0.8 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.76 | ![]() |
SCZ![]() | 3-cyclopropyl-5-phenyl-N-(pyridin- 3-ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3N | 0.7 | ![]() |
PIQ![]() | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.79 | ![]() |
PIQ![]() | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.79 | ![]() |
SCW![]() | 3-bromo-6-phenyl-N-(pyrimidin-5- ylmethyl)imidazo[1,2-a]pyridin- 8-amine | A | 2R3L | 0.71 | ![]() |
1CI![]() | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE | A,B,C,D,E,F,G | 2Q6N | 0.74 | ![]() |
GVH![]() | 1H-PYRROLO[2,3-B]PYRIDINE | A | 2UVX | 0.78 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.71 | ![]() |
JNO![]() | 2-{4-[(4-imidazo[1,2-a]pyridin- 3-ylpyrimidin-2-yl)amino]piperidin- 1-yl}-N-methylacetamide | A | 3CGO | 0.73 | ![]() |
LID![]() | 8-(2-CHLOROPHENYLAMINO)-2-(2,6- DIFLUOROPHENYLAMINO)-9-ETHYL-9H- PURINE-1,7-DIIUM | A | 2GTM | 0.72 | ![]() |
JI2![]() | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3B3N | 0.73 | ![]() |
JI2![]() | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3DQR | 0.73 | ![]() |
6IP![]() | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.72 | ![]() |
HDT![]() | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]BENZENESULFONAMIDE | A | 1OIT | 0.72 | ![]() |
1BN![]() | 1-BENZYL-1H-IMIDAZOLE | A,B | 2AFX | 0.74 | ![]() |
2AP![]() | 2-AMINOPYRIDINE | A | 1AEO | 0.8 | ![]() |
LG4![]() | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.83 | ![]() |
GW3![]() | 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2- F]QUINAZOLINE-1,3-DIAMINE | A,B | 1AOE | 0.72 | ![]() |
TH4![]() | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.72 | ![]() |
DA1![]() | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.83 | ![]() |
A11![]() | ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E6L | 0.72 | ![]() |
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 | ![]() |
OBI![]() | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.71 | ![]() |
KSL![]() | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZYB | 0.73 | ![]() |
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 | ![]() |
SCE![]() | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.82 | ![]() |
BZI![]() | BENZIMIDAZOLE | A | 1RYC | 0.72 | ![]() |
BZI![]() | BENZIMIDAZOLE | A | 1L5F | 0.72 | ![]() |
BZI![]() | BENZIMIDAZOLE | A | 1KXM | 0.72 | ![]() |
MPI![]() | IMIDAZO[1,2-A]PYRIDINE | A | 1AEM | 0.85 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.73 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.73 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.73 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.78 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.76 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.76 | ![]() |
26D![]() | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.76 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.77 | ![]() |