Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03033103
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 |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.71 |  |
CDA | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-6- PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU6 | 0.71 | |
C48 | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.71 | |
AIK | N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4- ({[4-(FORMYLAMINO)-1-METHYL-1H- PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL- 1H-PYRROL-2-YL]CARBONYL}AMINO)- 5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE | A,B | 1RMX | 0.74 | |
3BA | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.7 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 408D | 0.8 | |
| IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 1CVY | 0.8 | |
MPY | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4- (4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4- C]PYRAZOLE-5(3H)-CARBOXAMIDE | A,B,C,D,E,F | 2BMC | 0.74 | |
I19 | N-(4-{[(3S)-3-(dimethylamino)pyrrolidin- 1-yl]carbonyl}phenyl)-5-fluoro- 4-[2-methyl-1-(1-methylethyl)-1H- imidazol-5-yl]pyrimidin-2-amine | A | 2W17 | 0.73 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.87 | |
| ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.87 | |
CYE | B | 1PQQ | 0.77 | | |
34Q | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.76 | |
N31 | N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl- L-alanyl-L-alaninamide | A | 3EXB | 0.71 | |
163 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-2-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1O0D | 0.78 | |
9HX | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.8 | |
464 | 3-[5-({5-[(AMINOCARBONYL)AMINO]- 2-OXO-2H-INDOL-3-YL}METHYL)-1H- PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE | A | 2PE2 | 0.73 | |
162 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1NZQ | 0.78 | |
LZ5 | N-phenyl-1H-pyrazole-3-carboxamide | A | 2VTL | 0.71 | |
PYC | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.71 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.71 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.71 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.71 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.71 | |
LZ7 | 4-(acetylamino)-N-(4-fluorophenyl)- 1H-pyrazole-3-carboxamide | A | 2VTN | 0.7 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.73 | |
CDO | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN- 3-YL)METHYLCARBAMOYL)-2H-PYRROL- 1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN- 2-YLAMINO)ACETIC ACID | H | 2ANM | 0.71 | |
CII | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.72 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A,B | 2VD5 | 0.71 | |
| BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UVR | 0.71 | |
PY3 | 5-[AMINO(IMINO)METHYL]-2-[({[6- [3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]- 3-(ISOPROPYLAMINO)-2-OXOPYRAZIN- 1(2H)-YL]ACETYL}AMINO)METHYL]-N- PYRIDIN-4-YLBENZAMIDE | H,L | 1Z6J | 0.72 | |
9DG | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 0.78 | |
| 9DG | 9-DEAZAGUANINE | A | 1IL4 | 0.78 | |
| 9DG | 9-DEAZAGUANINE | A,C | 1FSG | 0.78 | |
| 9DG | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 0.78 | |
PB5 | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUR | 0.73 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | A,D,E,G,I,J | 1S32 | 0.78 | |
| PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | D,I,J | 1M18 | 0.78 | |
| PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M1A | 0.78 | |
| PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M19 | 0.78 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2C3J | 0.77 | |
| DBQ | DEBROMOHYMENIALDISINE | A,B | 1U4D | 0.77 | |
| DBQ | DEBROMOHYMENIALDISINE | A | 2CN8 | 0.77 | |
| DBQ | DEBROMOHYMENIALDISINE | A | 1Z57 | 0.77 | |
C92 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.71 | |
DMY | DISTAMYCIN A | A | 217D | 0.9 | |
| DMY | DISTAMYCIN A | A | 1K2Z | 0.9 | |
| DMY | DISTAMYCIN A | A,B,E,F | 2JT7 | 0.9 | |
| DMY | DISTAMYCIN A | A,B | 267D | 0.9 | |
| DMY | DISTAMYCIN A | A | 306D | 0.9 | |
| DMY | DISTAMYCIN A | A | 304D | 0.9 | |
| DMY | DISTAMYCIN A | A | 305D | 0.9 | |
| DMY | DISTAMYCIN A | A | 1JUX | 0.9 | |
| DMY | DISTAMYCIN A | A | 2DND | 0.9 | |
| DMY | DISTAMYCIN A | A,B,C,D | 378D | 0.9 | |
| DMY | DISTAMYCIN A | B | 1JTL | 0.9 | |
| DMY | DISTAMYCIN A | A | 159D | 0.9 | |
| DMY | DISTAMYCIN A | A | 216D | 0.9 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.73 | |
IIP | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 365D | 0.8 | |
P11 | IMIDAZOLE-PYRROLE-BETA ALANINE- IMIDAZOLE-BETA ALANINE-IMIDAZOLE- PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE | A | 1LEJ | 0.78 | |
CMI | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL- 1H-INDOLE-2-CARBOXYLIC ACID 3,5- DIMETHYL-BENZYLAMIDE | B | 1LQD | 0.71 | |
PPX | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.74 | |
PB3 | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.7 | |
HP2 | HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 1CVX | 0.71 | |
HP1 | IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE | A,B | 407D | 0.82 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.72 | |
517 | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.73 | |