Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02219566
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 |
D26 | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3- THIAZOLE | A,B,C,D | 2VCX | 0.75 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A,C | 2C5N | 0.73 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A | 1PXP | 0.73 | |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.75 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.71 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.72 | |
N8T | N-[8-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN- 9-AMINE | A | 2CEK | 0.7 | |
IND | INDOLE | A | 1L4H | 0.72 | |
IND | INDOLE | A,B,G | 1O7N | 0.72 | |
IND | INDOLE | A | 185L | 0.72 | |
IND | INDOLE | A,B | 1EG9 | 0.72 | |
IND | INDOLE | A,B | 1UUV | 0.72 | |
IND | INDOLE | A,C,E | 2B24 | 0.72 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.72 | |
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 | |
THZ | BENZOTHIAZOLE | H,I,R | 1TBZ | 0.76 | |
THZ | BENZOTHIAZOLE | H,I,R | 1B5G | 0.76 | |
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 | 0.71 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.71 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.71 | |
AK1 | 1-{5-[2-(thieno[3,2-d]pyrimidin- 4-ylamino)ethyl]-1,3-thiazol-2- yl}-3-[3-(trifluoromethyl)phenyl]urea | A | 3D14 | 0.74 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.73 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.86 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.86 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.86 | |
N3T | A,B | 1TKA | 0.74 | ||
L22 | 4-(2-amino-1,3-thiazol-4-yl)pyrimidin- 2-amine | A,B | 2W70 | 0.73 | |
CK1 | 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN- 2-AMINE | A | 1PXI | 0.72 | |
CK2 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A,C | 2C5O | 0.73 | |
CK2 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A | 1PXJ | 0.73 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.7 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.74 | |
CK3 | N-[4-(2,4-DIMETHYL-1,3-THIAZOL- 5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | A | 1PXK | 0.7 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.7 | |
PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.7 | |
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 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.75 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.75 |