Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03366615
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 |
HAN | 2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE- 1-PENTANOIC ACID | B,D,E,H | 1Y18 | 0.71 | |
HAN | 2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE- 1-PENTANOIC ACID | A,D,E,F,H | 1Y0L | 0.71 | |
TCR | CYCLOMETHYLTRYPTOPHAN | A | 3AIG | 0.72 | |
C08 | difluoro(5-{2-[(5-octyl-1H-pyrrol- 2-yl-kappaN)methylidene]-2H-pyrrol- 5-yl-kappaN}pentanoato)boron | A,B | 2ZK6 | 0.8 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.7 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.76 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.76 | |
3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | A,B,C,D | 1XES | 0.72 | |
3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | B,C,D | 1XET | 0.72 | |
PBG | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID | A,B | 1E51 | 0.71 | |
PBG | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID | A | 1OHL | 0.71 | |
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 | 0.73 | |
CRZ | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.77 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.7 | |
IAV | N-[1H-INDOL-3-YL-ACETYL]VALINE ACID | A,B | 1K7F | 0.72 | |
115 | 7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL- 1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWI | 0.76 | |
ITR | IMINO-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.74 | |
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.72 | |
DTR | D-TRYPTOPHAN | A,B,C,D | 2R3C | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY8 | 0.74 | |
DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5D | 0.74 | |
DTR | D-TRYPTOPHAN | A | 2V7K | 0.74 | |
DTR | D-TRYPTOPHAN | A,D | 1CZQ | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1DFY | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY5 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1NXN | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1TKF | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1YL9 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XXZ | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY4 | 0.74 | |
DTR | D-TRYPTOPHAN | A,D | 2Q3I | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1QFB | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1DFZ | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY9 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY6 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 2SOC | 0.74 | |
DTR | D-TRYPTOPHAN | A | 2JUE | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1SOC | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1YL8 | 0.74 | |
DTR | D-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.74 | |
DTR | D-TRYPTOPHAN | A,B | 2Q33 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1DG0 | 0.74 | |
DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5B | 0.74 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.72 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.72 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.72 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.72 | |
4FW | 4-FLUOROTRYPTOPHANE | A | 1RM9 | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A | 2JT8 | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1NF0 | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A | 2JTZ | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1I45 | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 2ZNX | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1NEY | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 5FWG | 0.73 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2I0T | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | A,B,C,D,K,L, M,N | 2J57 | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2OK4 | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2IUR | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2AGW | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | A,B,H,L,M | 2J56 | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2IUV | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2OK6 | 0.7 | |
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 | 0.7 | |
2S3 | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.74 | |
LCF | [6-(4-CHLOROPHENYL)-2,2-DIMETHYL- 7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN- 5-YL]ACETIC ACID | A | 1ZYX | 0.77 | |
NA9 | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.7 | |
2S2 | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.74 | |
7HI | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)- 2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol- 1(4H)-yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 3CD5 | 0.71 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.72 | |
FT6 | 6-FLUORO-L-TRYPTOPHAN | A,B | 2NW9 | 0.73 | |
SU1 | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE | A,B | 1FGI | 0.71 | |
4IN | 4-AMINO-L-TRYPTOPHAN | A,B | 2HXX | 0.73 | |
4IN | 4-AMINO-L-TRYPTOPHAN | A | 1OXF | 0.73 | |
IOP | INDOLYLPROPIONIC ACID | A,B | 1AHF | 0.75 | |
IOP | INDOLYLPROPIONIC ACID | A | 2OLI | 0.75 | |
IOP | INDOLYLPROPIONIC ACID | A,B | 2AY5 | 0.75 | |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.72 | |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.77 | |
IDA | (2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID | A,B | 1OXL | 0.74 | |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.71 | |
117 | 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL- 3-PHENYL-4-PHENYLCARBAMOYL-PYRROL- 1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWK | 0.71 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.75 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.75 | |
PAT | ALPHA-PHOSPHONO-TRYPTOPHAN | A,B | 1I73 | 0.71 | |
TRF | N1-FORMYL-TRYPTOPHAN | A,B | 1VRK | 0.75 | |
TRF | N1-FORMYL-TRYPTOPHAN | A,B,C,D | 1QS7 | 0.75 | |
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 | 0.71 |