Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02341307
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 |
BP4 | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.71 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.72 | |
KTP | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID | A,B | 1KYN | 0.71 | |
2DM | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.7 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.75 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.75 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.75 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.71 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.71 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.77 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.77 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.77 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.77 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.77 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.77 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.72 | |
B08 | A,B | 2E99 | 0.7 | ||
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.72 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.73 | |
4FC | A | 1YSG | 0.71 | ||
BFL | A,B | 1Q4G | 0.79 | ||
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.79 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.79 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.78 | |
BPA | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.7 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.7 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.7 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2ITK | 0.71 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | H,I | 4THN | 0.71 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2Q5A | 0.71 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZWU | 0.71 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1SKL | 0.71 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | H,I | 5GDS | 0.71 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZH0 | 0.71 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2JT9 | 0.71 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.7 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.7 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.7 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.7 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.7 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.7 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.7 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.7 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.7 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.7 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.7 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.85 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.85 | |
LLG | 2-aminoethyl naphthalen-1-ylacetate | A | 3BC4 | 0.83 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.73 | |
CP5 | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.7 | |
254 | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FD0 | 0.74 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.72 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.72 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.76 | |
EQU | EQUILENIN | A,B | 1OGX | 0.7 | |
EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.7 | |
EQU | EQUILENIN | A,B | 1OH0 | 0.7 | |
EQU | EQUILENIN | A | 1W6Y | 0.7 | |
EQU | EQUILENIN | A,B | 1CQS | 0.7 | |
EQU | EQUILENIN | A | 1OGZ | 0.7 | |
EQU | EQUILENIN | A | 1GS3 | 0.7 | |
EQU | EQUILENIN | A | 1OHO | 0.7 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.72 | |
IBP | IBUPROFEN | A | 3FKX | 0.77 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.77 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.77 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.77 | |
IBP | IBUPROFEN | A | 2PWS | 0.77 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.72 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.72 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.73 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.72 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.72 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.72 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.79 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.73 | |
973 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE | A | 2Q85 | 0.73 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.81 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.8 | |
184 | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.81 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.73 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.73 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.73 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.73 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.73 | |
PIC | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID | A | 1BZJ | 0.73 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.71 | |
FBC | A,B | 2B9A | 0.7 | ||
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.85 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.85 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.73 | |
OX1 | H,Y | 1LO2 | 0.77 | ||
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.77 | |
26C | A,B | 2F7I | 0.7 | ||
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.7 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.7 | |
BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.7 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.82 | |
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 | 0.72 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 2FIV | 0.71 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B | 1B0H | 0.71 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | B | 1FIV | 0.71 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 3FIV | 0.71 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.89 | |
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 | 0.79 | |
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 | 0.79 | |
B28 | A,B | 2E9A | 0.71 | ||
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 | |
NHL | (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID | A | 2OHV | 0.7 |