Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03190365
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 |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.75 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.75 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.75 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.79 | |
JNF | N-cyclohexyl-4-imidazo[1,2-a]pyridin- 3-yl-N-methylpyrimidin-2-amine | A | 3CGF | 0.73 | |
MIL | MILRINONE | A,B | 1TLM | 0.72 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.71 | |
FYX | 4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL- 3-YL)PYRIDINE-2-CARBONITRILE | A,B | 1V97 | 0.74 | |
RBU | A,B | 1BEX | 0.74 | ||
RW1 | 4-phenylpyrimidine | A,B,C | 3B9S | 0.74 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.7 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.77 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.73 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.7 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.72 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.71 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.83 | |
HM2 | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)- 2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | A | 2G6P | 0.73 | |
C1D | 1-(2-{[(6-AMINO-2-METHYLPYRIDIN- 3-YL)METHYL]AMINO}ETHYL)-6-CHLORO- 3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]- 1,4-DIHYDROPYRAZIN-2-OL | H,I | 2BXU | 0.73 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.81 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.78 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.78 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.91 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.91 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.81 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.72 | |
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 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.78 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.77 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.71 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.73 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.77 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.77 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.77 | |
HDU | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.72 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.79 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.75 | |
SC9 | 6-(2-fluorophenyl)-N-(pyridin-3- ylmethyl)imidazo[1,2-a]pyrazin- 8-amine | A | 2R3G | 0.7 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.76 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.76 | |
JI2 | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3B3N | 0.74 | |
JI2 | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3DQR | 0.74 | |
D4G | A,B,C,D | 2FDY | 0.8 | ||
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.87 | |
CDA | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-6- PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU6 | 0.78 | |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.7 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.74 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.75 | |
PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.75 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.77 | |
CDB | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-3- METHYL-6-PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU8 | 0.73 | |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.76 | |
AS3 | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.72 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.76 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.79 | |
SB9 | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.73 | |
IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.71 | |
IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.71 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.72 | |
FPH | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.7 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.85 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.85 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.71 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.71 | |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.71 | |
855 | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.73 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.78 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.78 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.83 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.71 | |
9DA | 9-DEAZAADENINE | A | 1L1Q | 0.71 | |
460 | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.78 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.74 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.73 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.82 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.74 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.74 | |
1BY | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.72 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.79 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.75 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.75 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.75 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.86 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.77 |