Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01797644
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 |
BFB![]() | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.72 | ![]() |
D16![]() | TOMUDEX | A,B | 1I00 | 0.75 | ![]() |
D16![]() | TOMUDEX | A,B | 2KCE | 0.75 | ![]() |
D16![]() | TOMUDEX | A,B,C,D | 2TSR | 0.75 | ![]() |
D16![]() | TOMUDEX | A,B,C,D | 1HVY | 0.75 | ![]() |
D16![]() | TOMUDEX | A,B | 1RTS | 0.75 | ![]() |
APQ![]() | 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL- 3H-QUINAZOLINE-4-ONE | A | 1K4H | 0.72 | ![]() |
BHB![]() | 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE | A | 1Q65 | 0.75 | ![]() |
DQB![]() | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.82 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.85 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.85 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.85 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.85 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.85 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.85 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.85 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.85 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.85 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.85 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.85 | ![]() |
CST![]() | [[PHENYLALANINE-CARBONYL-AMINO- 2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN- 4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL- GLYCYL]PHENYLALANINE | A,B | 1BCS | 0.75 | ![]() |
CST![]() | [[PHENYLALANINE-CARBONYL-AMINO- 2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN- 4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL- GLYCYL]PHENYLALANINE | A | 1SGC | 0.75 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL5 | 0.82 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A | 1LCB | 0.82 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A,B,C,D | 1MXH | 0.82 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A | 2RK1 | 0.82 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A | 1RF7 | 0.82 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL6 | 0.82 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A | 1TYS | 0.82 | ![]() |
588![]() | 2-{[2-(2-CARBAMOYL-VINYL)-4-(2- METHANESULFONYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID | A | 1ONY | 0.7 | ![]() |
4HF![]() | N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8- HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN- 6-YL]ETHYL}-2-THIENYL)CARBONYL]- L-GLUTAMIC ACID | A,B,C | 2FMN | 0.7 | ![]() |
BW2![]() | N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID | A,B,C,D | 1PL0 | 0.79 | ![]() |
AAF![]() | METHYL 4-{[({[(2R,5S)-5-{[(2S)- 2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN- 2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | B | 2G63 | 0.73 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1KCE | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1NCE | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F | 1KZJ | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | X | 2FTO | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TRG | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2TSC | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVU | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVV | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1FWM | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1BQ1 | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL5 | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AIQ | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DDU | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 1QZF | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1TDU | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZE | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8M | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 2OIP | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1CI7 | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DNA | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1LCA | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZD | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1ZPR | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AAZ | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8O | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVW | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL6 | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AN5 | 0.83 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D | 2BFA | 0.83 | ![]() |
DDF![]() | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RX6 | 0.79 | ![]() |
DDF![]() | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RX5 | 0.79 | ![]() |
DDF![]() | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RX4 | 0.79 | ![]() |
DDF![]() | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A,B | 1DYJ | 0.79 | ![]() |
DDF![]() | 5,10-DIDEAZATETRAHYDROFOLIC ACID | A | 1RC4 | 0.79 | ![]() |
3FL![]() | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin- 4-yl)methyl]amino}butyl)amino]methyl}benzoic acid | A,B | 3FCL | 0.72 | ![]() |
CF4![]() | [4-(7,8-dimethyl-2,4-dioxo-3,4- dihydrobenzo[g]pteridin-10(2H)- yl)butyl]carbamic acid | A | 2VKG | 0.71 | ![]() |
AQO![]() | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.77 | ![]() |
CHY![]() | CHYMOSTATIN | A,B | 1M21 | 0.73 | ![]() |
CHY![]() | CHYMOSTATIN | A,B | 1WVM | 0.73 | ![]() |
901![]() | 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY- 3-METHYLSULFANYL-PROPYLCARBAMOYL)- BUTYLCARBAMOYL]-ETHYL}-2-ETHYL- PHENYL)-OXALYL-AMINO]-BENZOIC ACID | A | 1NZ7 | 0.7 | ![]() |
989![]() | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.7 | ![]() |