Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00071789
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 |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1Q41 | 0.72 |  |
| IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1UNH | 0.72 | |
| IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A | 2QKR | 0.72 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.74 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.7 | |
155 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-3,4-DIHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWJ | 0.76 | |
APQ | 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL- 3H-QUINAZOLINE-4-ONE | A | 1K4H | 0.78 | |
FRQ | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE | A,B | 1UK1 | 0.73 | |
F13 | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide | A,B | 3G35 | 0.72 | |
XX4 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | A,B,C | 2Q11 | 0.79 | |
NU1 | 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE | A | 4PAX | 0.73 | |
MAQ | 2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE | A | 1S38 | 0.84 | |
BL7 | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a- tetrahydro-4H-pyrrolo[2,3-b]quinolin- 4-one | A | 3BZ9 | 0.71 | |
DQB | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.76 | |
38M | 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)- 2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin- 4(3H)-one | A | 3F9N | 0.71 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1KCE | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1NCE | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F | 1KZJ | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | X | 2FTO | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TRG | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2TSC | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVU | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVV | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1FWM | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1BQ1 | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL5 | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AIQ | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DDU | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 1QZF | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1TDU | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZE | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8M | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 2OIP | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1CI7 | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DNA | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1LCA | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZD | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1ZPR | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AAZ | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8O | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVW | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL6 | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AN5 | 0.7 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D | 2BFA | 0.7 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.72 | |
FRM | 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE | A,B | 1UK0 | 0.84 | |
LFN | LUMIFLAVIN | A | 2CCC | 0.71 | |
4AN | 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE | A | 2PAX | 0.72 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.74 | |
KMB | 2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL- 3H-QUINAZOLIN-4-ONE | A | 1Q66 | 0.77 | |
AQO | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.89 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.71 | |
SX3 | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}aniline | A,B | 3CJ2 | 0.7 | |
303 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWK | 0.71 | |
TC8 | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin- 4(3H)-one | A | 3G3N | 0.83 | |
BHB | 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE | A | 1Q65 | 0.76 | |
1A2 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]- 1-YLCARBONYL)PICOLINONITRILE | A,B | 3E6T | 0.7 | |
675 | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE | A | 1OWE | 0.79 | |
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.8 | |
NHS | 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID | A,B | 1C2T | 0.7 | |
ISN | ISATIN | A,B | 1OJA | 0.71 | |
| ISN | ISATIN | A,B | 2BK5 | 0.71 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.74 | |
SY1 | 2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | A,B,C,D | 2ONC | 0.77 | |
497 | 6-[AMINO(IMINO)METHYL]-N-[(4R)- 4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 6-YL]-2-NAPHTHAMIDE | A | 1OWD | 0.71 | |
239 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | A | 1OWH | 0.75 | |