Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01162738
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 |
CNQ | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.7 |  |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.8 | |
PPX | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.71 | |
LZ9 | {[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide | A | 2VTP | 0.71 | |
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 | 0.7 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A,B | 2VD5 | 0.72 | |
| BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UVR | 0.72 | |
BI3 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE- 2,5-DIONE | A | 1UU9 | 0.71 | |
5BN | 5-[(2-AMINOETHYL)AMINO]-6-FLUORO- 3-(1H-PYRROL-2-YL)BENZO[CD]INDOL- 2(1H)-ONE | A | 1P2A | 0.73 | |
97B | 9-chloro-7-(2,6-difluorophenyl)- N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}- 5H-pyrimido[5,4-d][2]benzazepin- 2-amine | A,B,D | 3H10 | 0.71 | |
CMB | 1-(3-carbamimidoylbenzyl)-N-(3,5- dichlorobenzyl)-4-methyl-1H-indole- 2-carboxamide | B | 1LPZ | 0.73 | |
5Z5 | 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]- 2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE | A | 2JAV | 0.7 | |
288 | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL- (2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}- AMIDE | A,B | 1XOI | 0.7 | |
7CP | (4R)-7,8-dichloro-1',9-dimethyl- 1-oxo-1,2,4,9-tetrahydrospiro[beta- carboline-3,4'-piperidine]-4-carbonitrile | A | 3BHY | 0.71 | |
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 | 0.72 | |
DMY | DISTAMYCIN A | A | 217D | 0.73 | |
| DMY | DISTAMYCIN A | A | 1K2Z | 0.73 | |
| DMY | DISTAMYCIN A | A,B,E,F | 2JT7 | 0.73 | |
| DMY | DISTAMYCIN A | A,B | 267D | 0.73 | |
| DMY | DISTAMYCIN A | A | 306D | 0.73 | |
| DMY | DISTAMYCIN A | A | 304D | 0.73 | |
| DMY | DISTAMYCIN A | A | 305D | 0.73 | |
| DMY | DISTAMYCIN A | A | 1JUX | 0.73 | |
| DMY | DISTAMYCIN A | A | 2DND | 0.73 | |
| DMY | DISTAMYCIN A | A,B,C,D | 378D | 0.73 | |
| DMY | DISTAMYCIN A | B | 1JTL | 0.73 | |
| DMY | DISTAMYCIN A | A | 159D | 0.73 | |
| DMY | DISTAMYCIN A | A | 216D | 0.73 | |
IIE | 1-{2-[(4-CHLOROPHENYL)AMINO]-2- OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE | B | 2BQW | 0.77 | |
ZAM | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 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 | 0.72 | |
4QC | 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL- 4-YL}-7-OXO-3-(TRIFLUOROMETHYL)- 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4- C]PYRIDIN-1-YL]BENZAMIDE | A | 2G00 | 0.72 | |
45B | 4-{[2-({4-[2-(4-acetylpiperazin- 1-yl)-2-oxoethyl]phenyl}amino)- 5-fluoropyrimidin-4-yl]amino}-N- (2-chlorophenyl)benzamide | A,B,C | 3H0Z | 0.73 | |
2AZ | N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL- 5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1- F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]- 4-METHYLBENZAMIDE | A,B,D,E | 2GM1 | 0.78 | |
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 | 0.72 | |
MB9 | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9- tetrahydrospiro[beta-carboline- 3,4'-piperidine]-4-carbonitrile | A | 3CY2 | 0.73 | |
82A | (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)- 2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJJ | 0.8 | |
3FR | 3'-chloro-5'-(3-methyl-6-{[(1S)- 1-phenylethyl]amino}-1H-pyrazolo[4,3- c]pyridin-1-yl)biphenyl-2-carboxamide | A | 3DBD | 0.73 | |
LZE | 4-{[(2,6-dichlorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VU3 | 0.72 | |
NOW | Nalpha-[(3-tert-butyl-1-methyl- 1H-pyrazol-5-yl)carbonyl]-N-[(2Z)- 2-iminoethyl]-3-methyl-L-phenylalaninamide | A,B,C,D | 3HHA | 0.72 | |
J60 | 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]-N-[2- (DIETHYLAMINO)ETHYL]-2,4-DIMETHYL- 1H-PYRROLE-3-CARBOXAMIDE | A,B | 2JAM | 0.73 | |
LZ5 | N-phenyl-1H-pyrazole-3-carboxamide | A | 2VTL | 0.71 | |
LZ7 | 4-(acetylamino)-N-(4-fluorophenyl)- 1H-pyrazole-3-carboxamide | A | 2VTN | 0.7 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.71 | |
| 14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.71 | |
MB0 | (4R)-7,8-dichloro-1',9-dimethyl- 1-oxo-1,2,4,9-tetrahydrospiro[beta- carboline-3,4'-piperidine]-4-carbonitrile | A | 3CXW | 0.71 | |
B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A,B | 3G0F | 0.71 | |
| B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A | 3G0E | 0.71 | |
SN6 | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.71 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1XWS | 0.71 | |
| BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIK | 0.71 | |
| BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1ZRZ | 0.71 | |
| BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIL | 0.71 | |
| BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UU8 | 0.71 | |
187 | 1-{3-[AMINO(IMINO)METHYL]PHENYL}- N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]- 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE- 5-CARBOXAMIDE | C | 1X7A | 0.72 | |
8ST | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.72 | |
WBT | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1- (2-PYRIDIN-4-YLETHYL)-1H-INDOL- 6-YL]BENZAMIDE | A | 1WBT | 0.7 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OK1 | 0.85 | |
| 33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJI | 0.85 | |
MDL | [DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]- [4,4,5,5,5-PENTAFLUORO-3-OXY-1- [3-INDOLYL]-PENT-2-YL]AMINE | H,I | 1AD8 | 0.7 | |
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 | 0.71 | |
DRO | 1-(2-{[(3S)-3-(aminomethyl)-3,4- dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)- 4-chloro-5-methyl-N,N-diphenyl- 1H-pyrazole-3-carboxamide | A,B | 2W3L | 0.72 | |
CP4 | BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL- AMINOETHYL]-ETHYLENE GLYCOL | A,B | 1EM6 | 0.7 | |
ME4 | 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO)CYCLOHEXYL)- 1H-INDOLE-6-CARBOXAMIDE | A | 2P94 | 0.75 | |
CHI | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1H5U | 0.7 | |
| CHI | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1C50 | 0.7 | |
| CHI | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1LWO | 0.7 | |