Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03123832
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 |
529 | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL- 3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN- 1-YL)PHENYL]PROPANAMIDE | A,C,D | 2BPM | 0.72 |  |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 1KZI | 0.73 | |
| THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7Z | 0.73 | |
| THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3BHR | 0.73 | |
| THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3GSI | 0.73 | |
| THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7V | 0.73 | |
| THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 3BHL | 0.73 | |
| THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1U22 | 0.73 | |
FON | FOLINIC ACID | A,B | 1QD1 | 0.72 | |
| FON | FOLINIC ACID | A,B | 2BLN | 0.72 | |
| FON | FOLINIC ACID | A,B,C,D | 1VRQ | 0.72 | |
| FON | FOLINIC ACID | A,B | 1KL2 | 0.72 | |
| FON | FOLINIC ACID | A,B | 1XZQ | 0.72 | |
MAQ | 2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE | A | 1S38 | 0.7 | |
TGF | 2-[4-(4-{4-[(2-AMINO-5-FORMYL-4- OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN- 6-YLMETHYL)-AMINO]-BENZOYLAMINO}- 4-CARBOXY-BUTYRYLAMINO)-4-CARBOXY- BUTYRYLAMINO]-PENTANEDIOIC ACID | A,B,C,D | 1LS3 | 0.7 | |
SY1 | 2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | A,B,C,D | 2ONC | 0.76 | |
THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A,B,C,D | 1EJI | 0.72 | |
| THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A | 1U3G | 0.72 | |
| THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A | 2TDD | 0.72 | |
TMF | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1BJG | 0.7 | |
| TMF | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1JBW | 0.7 | |
| TMF | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1LCE | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.74 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.74 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.74 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.74 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.74 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.74 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.74 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.74 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.74 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.74 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.74 | |
FRQ | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE | A,B | 1UK1 | 0.7 | |
AT6 | N-[2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL]-4-CYANOBENZAMIDE | A,B | 3E68 | 0.72 | |
TFI | 2-[5-METHANESULFONYLAMINO-2-(4- AMINOPHENYL)-6-OXO-1,6-DIHYDRO- 1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO- 1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE | A | 1EAT | 0.73 | |
497 | 6-[AMINO(IMINO)METHYL]-N-[(4R)- 4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 6-YL]-2-NAPHTHAMIDE | A | 1OWD | 0.7 | |
CF4 | [4-(7,8-dimethyl-2,4-dioxo-3,4- dihydrobenzo[g]pteridin-10(2H)- yl)butyl]carbamic acid | A | 2VKG | 0.75 | |
AZQ | AZAPROPAZONE | A | 2BXK | 0.71 | |
| AZQ | AZAPROPAZONE | A | 2BXI | 0.71 | |
| AZQ | AZAPROPAZONE | A,B | 2BX8 | 0.71 | |
DQB | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.73 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.71 | |
SII | N-(4-{[4-(cyclohexylamino)-1-(3- fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec- 3-en-8-yl]methyl}phenyl)acetamide | A | 3FKT | 0.74 | |
LFN | LUMIFLAVIN | A | 2CCC | 0.76 | |
FRM | 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE | A,B | 1UK0 | 0.75 | |
1A2 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]- 1-YLCARBONYL)PICOLINONITRILE | A,B | 3E6T | 0.84 | |
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.79 | |
SLD | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]- 2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent- 4-en-1-yl]-3-(4-methyl-2,6-dioxo- 1,6-dihydropyrimidin-5(2H)-ylidene)propanamide | 0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z | 3CXC | 0.71 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B,C,D | 1EQB | 0.72 | |
| FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1JOM | 0.72 | |
| FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1PJ7 | 0.72 | |
| FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B,C,D | 1DFO | 0.72 | |
| FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B | 2VMY | 0.72 | |
| FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B | 1JOL | 0.72 | |
| FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1WOP | 0.72 | |
SN8 | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPH | 0.73 | |
B14 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'- DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)- QUINAZOLINE]-4'-AMINE | A,B | 3E7T | 0.73 | |
XX4 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | A,B,C | 2Q11 | 0.74 | |
THL | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 3G5R | 0.72 | |
| THL | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 1WOO | 0.72 | |
155 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-3,4-DIHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWJ | 0.73 | |
DHF | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL5 | 0.73 | |
| DHF | DIHYDROFOLIC ACID | A | 1LCB | 0.73 | |
| DHF | DIHYDROFOLIC ACID | A,B,C,D | 1MXH | 0.73 | |
| DHF | DIHYDROFOLIC ACID | A | 2RK1 | 0.73 | |
| DHF | DIHYDROFOLIC ACID | A | 1RF7 | 0.73 | |
| DHF | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL6 | 0.73 | |
| DHF | DIHYDROFOLIC ACID | A | 1TYS | 0.73 | |