Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02390065
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 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.83 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.83 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.77 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.71 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.71 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.71 | |
D4G | A,B,C,D | 2FDY | 0.85 | ||
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.8 | |
PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.8 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.72 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.78 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.71 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.71 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.83 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.77 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.79 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.79 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.79 | |
U73 | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.71 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.78 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.78 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.75 | |
RW1 | 4-phenylpyrimidine | A,B,C | 3B9S | 0.75 | |
NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A | 2OPM | 0.74 | |
NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYF | 0.74 | |
NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYG | 0.74 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.87 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.92 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.92 | |
FPH | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.71 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.77 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.81 | |
11P | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid) | A | 2RAH | 0.7 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.77 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.77 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.77 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.77 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.77 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.77 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.71 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.71 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.71 | |
IQU | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.73 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.74 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.77 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.72 | |
FYX | 4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL- 3-YL)PYRIDINE-2-CARBONITRILE | A,B | 1V97 | 0.72 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.81 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.81 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.78 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.78 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.78 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.7 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.7 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.7 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.7 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.7 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.77 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.77 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.77 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.77 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.77 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.77 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.77 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.77 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.77 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.77 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.77 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.77 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.77 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.77 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.77 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.77 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.77 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.77 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.77 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.77 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.77 | |
MYT | METYRAPONE | A | 1PHG | 0.76 | |
MYT | METYRAPONE | A | 1W0G | 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 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.77 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.77 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.77 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.77 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.77 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.77 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.71 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.71 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.71 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.71 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 0.71 | |
IMB | [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1R | 0.7 | |
IND | INDOLE | A | 1L4H | 0.7 | |
IND | INDOLE | A,B,G | 1O7N | 0.7 | |
IND | INDOLE | A | 185L | 0.7 | |
IND | INDOLE | A,B | 1EG9 | 0.7 | |
IND | INDOLE | A,B | 1UUV | 0.7 | |
IND | INDOLE | A,C,E | 2B24 | 0.7 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.7 | |
460 | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.73 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.72 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.75 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.82 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.82 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.7 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.77 | |
THA | TACRINE | A,B | 2AOW | 0.7 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.7 | |
THA | TACRINE | A,B | 2AOX | 0.7 | |
THA | TACRINE | A | 1ACJ | 0.7 | |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.71 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.74 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.77 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.71 | |
EPJ | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.75 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.79 | |
MIL | MILRINONE | A,B | 1TLM | 0.76 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.77 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.84 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.83 | |
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 | 0.7 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.75 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.87 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.74 | |
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 | 0.85 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.85 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.85 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.73 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.73 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.71 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.86 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.71 | |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.73 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.88 | |
XMK | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | A | 1IQM | 0.7 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.73 | |
364 | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.73 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.75 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.75 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.71 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.73 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.71 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.71 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.71 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.71 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.71 | |
SB9 | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.7 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.72 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.85 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.78 |