Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02324384
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 |
BPA![]() | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.72 | ![]() |
184![]() | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.78 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.73 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.73 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.73 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.75 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.75 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.75 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.75 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.75 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.72 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.91 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.91 | ![]() |
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 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.74 | ![]() |
254![]() | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FD0 | 0.73 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.9 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.72 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.72 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.72 | ![]() |
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 | 0.81 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.81 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.75 | ![]() |
NPS![]() | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.71 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.74 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.74 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.74 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.74 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.74 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.74 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.75 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.75 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.75 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.75 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.75 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.75 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 2FIV | 0.72 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B | 1B0H | 0.72 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | B | 1FIV | 0.72 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 3FIV | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.72 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.74 | ![]() |
OX1![]() | H,Y | 1LO2 | 0.76 | ![]() | |
NHL![]() | (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID | A | 2OHV | 0.71 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.79 | ![]() |
IN4![]() | +/-METHYL 4-(AMINOIMINOMETHYL)- BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE | A | 1AZ8 | 0.71 | ![]() |
BFL![]() | A,B | 1Q4G | 0.77 | ![]() | |
KTP![]() | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID | A,B | 1KYN | 0.72 | ![]() |
TBT![]() | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.71 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.75 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.76 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.71 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.71 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.71 | ![]() |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.71 | ![]() |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.71 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMN | 0.7 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMM | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.71 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.71 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.71 | ![]() |
BZR![]() | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.71 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.8 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.71 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.74 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.74 | ![]() |
TBC![]() | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.78 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2ITK | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | H,I | 4THN | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2Q5A | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZWU | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1SKL | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | H,I | 5GDS | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZH0 | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2JT9 | 0.72 | ![]() |
LLG![]() | 2-aminoethyl naphthalen-1-ylacetate | A | 3BC4 | 0.75 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HML | 0.7 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HMK | 0.7 | ![]() |