Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02113859
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 |
NZA | 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q5S | 0.7 |  |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.71 | |
238 | A | 2PRH | 0.71 | | |
SF1 | 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q61 | 0.71 | |
4FW | 4-FLUOROTRYPTOPHANE | A | 1RM9 | 0.72 | |
FTR | FLUOROTRYPTOPHANE | A | 2JT8 | 0.72 | |
| FTR | FLUOROTRYPTOPHANE | A,B | 1NF0 | 0.72 | |
| FTR | FLUOROTRYPTOPHANE | A | 2JTZ | 0.72 | |
| FTR | FLUOROTRYPTOPHANE | A,B | 1I45 | 0.72 | |
| FTR | FLUOROTRYPTOPHANE | A,B | 2ZNX | 0.72 | |
| FTR | FLUOROTRYPTOPHANE | A,B | 1NEY | 0.72 | |
| FTR | FLUOROTRYPTOPHANE | A,B | 5FWG | 0.72 | |
CRZ | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.75 | |
DTR | D-TRYPTOPHAN | A,B,C,D | 2R3C | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1XY8 | 0.73 | |
| DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5D | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 2V7K | 0.73 | |
| DTR | D-TRYPTOPHAN | A,D | 1CZQ | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1DFY | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1XY5 | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1NXN | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1TKF | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1YL9 | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1XXZ | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1XY4 | 0.73 | |
| DTR | D-TRYPTOPHAN | A,D | 2Q3I | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1QFB | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1DFZ | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1XY9 | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1XY6 | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 2SOC | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 2JUE | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1SOC | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1YL8 | 0.73 | |
| DTR | D-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.73 | |
| DTR | D-TRYPTOPHAN | A,B | 2Q33 | 0.73 | |
| DTR | D-TRYPTOPHAN | A | 1DG0 | 0.73 | |
| DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5B | 0.73 | |
ITR | IMINO-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.73 | |
CTE | 7-CHLOROTRYPTOPHAN | A | 2AR8 | 0.76 | |
| CTE | 7-CHLOROTRYPTOPHAN | A | 2V7L | 0.76 | |
4IN | 4-AMINO-L-TRYPTOPHAN | A,B | 2HXX | 0.71 | |
| 4IN | 4-AMINO-L-TRYPTOPHAN | A | 1OXF | 0.71 | |
C08 | difluoro(5-{2-[(5-octyl-1H-pyrrol- 2-yl-kappaN)methylidene]-2H-pyrrol- 5-yl-kappaN}pentanoato)boron | A,B | 2ZK6 | 0.75 | |
2S3 | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.71 | |
3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | A,B,C,D | 1XES | 0.71 | |
| 3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | B,C,D | 1XET | 0.71 | |
IDA | (2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID | A,B | 1OXL | 0.72 | |
115 | 7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL- 1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWI | 0.75 | |
RSS | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA- 12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)- HEXANOIC ACID | A,B | 1MMP | 0.71 | |
IOP | INDOLYLPROPIONIC ACID | A,B | 1AHF | 0.73 | |
| IOP | INDOLYLPROPIONIC ACID | A | 2OLI | 0.73 | |
| IOP | INDOLYLPROPIONIC ACID | A,B | 2AY5 | 0.73 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.71 | |
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 | 0.71 | |
TCR | CYCLOMETHYLTRYPTOPHAN | A | 3AIG | 0.71 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.72 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5Q | 0.72 | |
| 700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1EXV | 0.72 | |
| 700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5S | 0.72 | |
| 700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L7X | 0.72 | |
| 700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5R | 0.72 | |
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 | 0.71 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.73 | |
2S2 | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.72 | |
FT6 | 6-FLUORO-L-TRYPTOPHAN | A,B | 2NW9 | 0.72 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.71 | |
| IAC | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.71 | |
| IAC | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.71 | |
| IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.71 | |
DTE | 7-CL-D-TRYPTOPHAN | A | 2V7M | 0.76 | |
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.71 | |
LCF | [6-(4-CHLOROPHENYL)-2,2-DIMETHYL- 7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN- 5-YL]ACETIC ACID | A | 1ZYX | 0.85 | |
6CW | 6-CHLORO-L-TRYPTOPHAN | B | 2GV2 | 0.77 | |
| 6CW | 6-CHLORO-L-TRYPTOPHAN | A,B | 2AXI | 0.77 | |
| 6CW | 6-CHLORO-L-TRYPTOPHAN | A,L,M | 3FEA | 0.77 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.75 | |
| 3IB | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.75 | |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.74 | |
TRF | N1-FORMYL-TRYPTOPHAN | A,B | 1VRK | 0.73 | |
| TRF | N1-FORMYL-TRYPTOPHAN | A,B,C,D | 1QS7 | 0.73 | |