Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02397092
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 |
R13![]() | 3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID | A | 2CBS | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.73 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.73 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.73 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.73 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.73 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.74 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.74 | ![]() |
E04![]() | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN- 17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | A | 1ZQ5 | 0.71 | ![]() |
TRZ![]() | TRAZEOLIDE | A | 1C12 | 0.71 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.78 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.73 | ![]() |
184![]() | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.75 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.71 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.71 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.71 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 2FIV | 0.7 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B | 1B0H | 0.7 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | B | 1FIV | 0.7 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 3FIV | 0.7 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.73 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.71 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.79 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.79 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.74 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.73 | ![]() |
L79![]() | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.71 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.84 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.84 | ![]() |
NHL![]() | (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID | A | 2OHV | 0.76 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.77 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.86 | ![]() |
254![]() | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FD0 | 0.71 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.71 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.76 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.73 | ![]() |
OX1![]() | H,Y | 1LO2 | 0.73 | ![]() | |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.76 | ![]() |
LLG![]() | 2-aminoethyl naphthalen-1-ylacetate | A | 3BC4 | 0.74 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2ITK | 0.7 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | H,I | 4THN | 0.7 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2Q5A | 0.7 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZWU | 0.7 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1SKL | 0.7 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | H,I | 5GDS | 0.7 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZH0 | 0.7 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2JT9 | 0.7 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.71 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.71 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.71 | ![]() |
BFL![]() | A,B | 1Q4G | 0.75 | ![]() | |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.74 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.74 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.71 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.71 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.71 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.71 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.71 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.71 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.71 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.71 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.71 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.71 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.71 | ![]() |