Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02122429
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 |
MAQ![]() | 2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE | A | 1S38 | 0.77 | ![]() |
AQO![]() | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.82 | ![]() |
TC8![]() | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin- 4(3H)-one | A | 3G3N | 0.72 | ![]() |
XX4![]() | 3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | A,B,C | 2Q11 | 0.76 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.72 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.72 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.72 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.72 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.72 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.72 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.72 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.72 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.72 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.72 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.72 | ![]() |
SY1![]() | 2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | A,B,C,D | 2ONC | 0.82 | ![]() |
MHF![]() | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | X | 2IJG | 0.75 | ![]() |
MHF![]() | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | A,B | 2J4D | 0.75 | ![]() |
MHF![]() | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | A,B | 1DNP | 0.75 | ![]() |
AZQ![]() | AZAPROPAZONE | A | 2BXK | 0.72 | ![]() |
AZQ![]() | AZAPROPAZONE | A | 2BXI | 0.72 | ![]() |
AZQ![]() | AZAPROPAZONE | A,B | 2BX8 | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 1KZI | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7Z | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3BHR | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3GSI | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7V | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 3BHL | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1U22 | 0.72 | ![]() |
APQ![]() | 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL- 3H-QUINAZOLINE-4-ONE | A | 1K4H | 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 | 0.72 | ![]() |
TMF![]() | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1BJG | 0.72 | ![]() |
TMF![]() | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1JBW | 0.72 | ![]() |
TMF![]() | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1LCE | 0.72 | ![]() |
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 | ![]() |
XXZ![]() | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.74 | ![]() |
RA4![]() | N-(4-NITROBENZOYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPM | 0.72 | ![]() |
FON![]() | FOLINIC ACID | A,B | 1QD1 | 0.71 | ![]() |
FON![]() | FOLINIC ACID | A,B | 2BLN | 0.71 | ![]() |
FON![]() | FOLINIC ACID | A,B,C,D | 1VRQ | 0.71 | ![]() |
FON![]() | FOLINIC ACID | A,B | 1KL2 | 0.71 | ![]() |
FON![]() | FOLINIC ACID | A,B | 1XZQ | 0.71 | ![]() |
FRM![]() | 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE | A,B | 1UK0 | 0.74 | ![]() |
DQB![]() | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.75 | ![]() |
KMB![]() | 2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL- 3H-QUINAZOLIN-4-ONE | A | 1Q66 | 0.72 | ![]() |
MEF![]() | N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7- hexahydroimidazo[1,5-f]pteridin- 8(9H)-yl]phenyl}carbonyl)-L-glutamic acid | A | 3BGX | 0.76 | ![]() |
SX3![]() | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}aniline | A,B | 3CJ2 | 0.74 | ![]() |
BHB![]() | 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE | A | 1Q65 | 0.76 | ![]() |
SX4![]() | 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin- 1-yl]carbonyl}aniline | A,B | 3CJ3 | 0.71 | ![]() |
NHS![]() | 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID | A,B | 1C2T | 0.7 | ![]() |
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 | ![]() |