Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00853905
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 |
XMJ | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQL | 0.74 |  |
XMI | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQK | 0.72 | |
CQP | (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN- 2-YLMETHANESULFONYL)ISOQUINOLINE | A | 2C1B | 0.7 | |
D4G | A,B,C,D | 2FDY | 0.75 | | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.79 | |
XME | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)- 4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQG | 0.7 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.78 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.76 | |
U55 | 4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | A | 1JSV | 0.71 | |
LZ4 | 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide | A | 2VTJ | 0.74 | |
PIU | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.78 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.73 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.78 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.73 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2ESM | 0.79 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2F2U | 0.79 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 2GNI | 0.79 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 1Q8W | 0.79 | |
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 | |
XMK | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | A | 1IQM | 0.79 | |
CMW | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.76 | |
ZEN | T | 1J17 | 0.72 | | |
| ZEN | A | 1QL9 | 0.72 | | |
| ZEN | T | 1V2K | 0.72 | | |
| ZEN | A | 1QL8 | 0.72 | | |
| ZEN | A | 1QL7 | 0.72 | | |
736 | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN- 4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2- B]PYRIDINE | B | 2BED | 0.76 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.82 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.81 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.72 | |
8ST | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.7 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.73 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.75 | |
I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2JDO | 0.74 | |
| I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2JDT | 0.74 | |
| I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2C1A | 0.74 | |
CLQ | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.73 | |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.73 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.7 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.7 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.71 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.71 | |
CKI | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE- 8-SULFONAMIDE | A | 2CSN | 0.88 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.71 | |
IQU | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.83 | |
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 | 0.7 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.7 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.7 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.72 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.72 | |
IQB | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | E | 1YDT | 0.75 | |
| IQB | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | A | 3FMD | 0.75 | |
EPJ | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.78 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.71 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.71 | |
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 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.7 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 1Q8U | 0.75 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A,B | 3D9V | 0.75 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNH | 0.75 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNL | 0.75 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.73 | |