Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01704623
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 |
RUN![]() | 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)- L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)- (2-METHYLPROPIONYL)IMIDAZOLE | B | 1HPS | 0.74 | ![]() |
AKP![]() | N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL- N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)- 1,1-DIHYDROXY-2-OXOETHYL]BUT-3- ENYL}-3-CYCLOHEXYLALANINAMIDE | A,B | 1RGQ | 0.73 | ![]() |
PD8![]() | PHOSPHORYLATED DIHYDROPTEROATE | A | 1W78 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 1PJ6 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RD7 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1DHF | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A,B,C,D,E | 1QZF | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 4CD2 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX7 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX2 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX8 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 1RA2 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RE7 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 7DFR | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 1VIF | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RB2 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 1CD2 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 2CD2 | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1DYI | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 1DRF | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A,B,C,D | 3BMC | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A,B | 2D0K | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 1RA8 | 0.72 | ![]() |
3IN![]() | N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY- 3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO- CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)- 3-CHLORO-PYRAZINYL-5-CARBONYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL- PENTANAMIDE | B | 2BPZ | 0.72 | ![]() |
3IN![]() | N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY- 3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO- CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)- 3-CHLORO-PYRAZINYL-5-CARBONYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL- PENTANAMIDE | B | 2BPY | 0.72 | ![]() |
3IN![]() | N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY- 3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO- CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)- 3-CHLORO-PYRAZINYL-5-CARBONYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL- PENTANAMIDE | B | 1C6X | 0.72 | ![]() |
P10![]() | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.71 | ![]() |
CX1![]() | N-[(benzyloxy)carbonyl]-L-histidyl- N-methyl-L-phenylalanyl-L-tyrosine | B | 3C72 | 0.71 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.71 | ![]() |
627![]() | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE | A,B | 2J50 | 0.71 | ![]() |
627![]() | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE | A,B | 2V7A | 0.71 | ![]() |
OQB![]() | 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-METHYL}-PYRIDINE- 3-CARBONYL)-AMINO]-BUTYRIC ACID | A | 1RWW | 0.7 | ![]() |
GRD![]() | benzyl (S)-1-((2S,3S)-1-(3-(6-amino- 9H-purin-9-yl)propylamino)-2-hydroxy- 1-oxopentan-3-ylamino)-4-methyl- 1-oxopentan-2-ylcarbamate | A | 2R9C | 0.7 | ![]() |
GGV![]() | B | 3GGV | 0.7 | ![]() | |
RC7![]() | {(2R)-4-(4-HYDROXYBENZYL)-2-[2- (1H-IMIDAZOL-4-YL)ETHYL]-5-OXO- 2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETALDEHYDE | A,B,C,D | 2GW4 | 0.7 | ![]() |
MS3![]() | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [VALINYL-AMINOMETHANYL-PYRIDINE] | A | 1EC3 | 0.7 | ![]() |