Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02100571
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 |
364 | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.71 |  |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.74 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.7 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.72 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.78 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.72 | |
IQU | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.77 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.71 | |
| CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.71 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.77 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.7 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.7 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.7 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.7 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.7 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.7 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.71 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.71 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.78 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.78 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.77 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.77 | |
RW1 | 4-phenylpyrimidine | A,B,C | 3B9S | 0.7 | |
D4G | A,B,C,D | 2FDY | 0.77 | | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.72 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.82 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.82 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.82 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.7 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.7 | |
CMW | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.72 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.72 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.72 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2ESM | 0.73 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2F2U | 0.73 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 2GNI | 0.73 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 1Q8W | 0.73 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.74 | |
| HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.74 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.72 | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.7 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.73 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.71 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.78 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.71 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.73 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.74 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 1Q8U | 0.7 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A,B | 3D9V | 0.7 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNH | 0.7 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNL | 0.7 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.72 | |
D26 | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3- THIAZOLE | A,B,C,D | 2VCX | 0.71 | |
U73 | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.75 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.74 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.78 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.78 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.71 | |
| PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.71 | |
| PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 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 | 0.78 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.78 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.78 | |
PIU | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.76 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.75 | |
NHB | N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE | A,B | 1W22 | 0.71 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.74 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.77 | |