Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02825172
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 |
CF4 | [4-(7,8-dimethyl-2,4-dioxo-3,4- dihydrobenzo[g]pteridin-10(2H)- yl)butyl]carbamic acid | A | 2VKG | 0.72 |  |
BFB | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.78 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.78 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.78 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.78 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.78 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.78 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.78 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.78 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.78 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.78 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.78 | |
529 | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL- 3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN- 1-YL)PHENYL]PROPANAMIDE | A,C,D | 2BPM | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1KCE | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1NCE | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F | 1KZJ | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | X | 2FTO | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TRG | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2TSC | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVU | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVV | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1FWM | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1BQ1 | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL5 | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AIQ | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DDU | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 1QZF | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1TDU | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZE | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8M | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 2OIP | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1CI7 | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DNA | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1LCA | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZD | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1ZPR | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AAZ | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8O | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVW | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL6 | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AN5 | 0.75 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D | 2BFA | 0.75 | |
DDF | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RX6 | 0.7 | |
| DDF | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RX5 | 0.7 | |
| DDF | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RX4 | 0.7 | |
| DDF | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A,B | 1DYJ | 0.7 | |
| DDF | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RC4 | 0.7 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.72 | |
B14 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'- DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)- QUINAZOLINE]-4'-AMINE | A,B | 3E7T | 0.7 | |
AZQ | AZAPROPAZONE | A | 2BXK | 0.71 | |
| AZQ | AZAPROPAZONE | A | 2BXI | 0.71 | |
| AZQ | AZAPROPAZONE | A,B | 2BX8 | 0.71 | |
1A2 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]- 1-YLCARBONYL)PICOLINONITRILE | A,B | 3E6T | 0.73 | |
APQ | 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL- 3H-QUINAZOLINE-4-ONE | A | 1K4H | 0.79 | |
BW2 | N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID | A,B,C,D | 1PL0 | 0.73 | |
38M | 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)- 2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin- 4(3H)-one | A | 3F9N | 0.75 | |
AQO | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.85 | |
BHB | 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE | A | 1Q65 | 0.82 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.7 | |
| 8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.7 | |
BAG | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)- 2-HYDROXYVINYL]BENZAMIDE | A | 1WDA | 0.72 | |
DHF | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL5 | 0.74 | |
| DHF | DIHYDROFOLIC ACID | A | 1LCB | 0.74 | |
| DHF | DIHYDROFOLIC ACID | A,B,C,D | 1MXH | 0.74 | |
| DHF | DIHYDROFOLIC ACID | A | 2RK1 | 0.74 | |
| DHF | DIHYDROFOLIC ACID | A | 1RF7 | 0.74 | |
| DHF | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL6 | 0.74 | |
| DHF | DIHYDROFOLIC ACID | A | 1TYS | 0.74 | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.7 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.71 | |
| 9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.71 | |