Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02301420
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 |
174 | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.77 | |
174 | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.77 | |
DIC | 3,4-DICHLOROISOCOUMARIN | A | 1DIC | 0.73 | |
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 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.71 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.71 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.73 | |
HSI | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.88 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.7 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.73 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.78 | |
FE3 | 4-(2-aminoethyl)-3-chlorobenzoic acid | A,B | 2K1Q | 0.71 | |
PQN | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.71 | |
PQN | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.71 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.71 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.71 | |
PQN | PHYLLOQUINONE | 0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z | 1QZV | 0.71 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.71 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.71 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.71 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.75 | |
3CA | A,B | 2B77 | 0.73 | ||
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 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 | 0.73 | |
BZQ | DIPHENYLMETHANONE | A,B | 1GT5 | 0.71 | |
BZQ | DIPHENYLMETHANONE | A,B | 1DZP | 0.71 | |
3BZ | 3-chlorobenzoate | X | 2QVZ | 0.75 | |
3BZ | 3-chlorobenzoate | X | 2QVX | 0.75 | |
IBP | IBUPROFEN | A | 3FKX | 0.72 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.72 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.72 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.72 | |
IBP | IBUPROFEN | A | 2PWS | 0.72 | |
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 | |
HPK | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.71 | |
973 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE | A | 2Q85 | 0.73 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.75 | |
26C | A,B | 2F7I | 0.73 | ||
34Z | 3,4-dichlorobenzoate | X | 2QVY | 0.74 | |
34Z | 3,4-dichlorobenzoate | X | 2QW0 | 0.74 | |
9TA | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.71 | |
PHT | PHTHALIC ACID | A,B,C | 2B7P | 0.7 | |
PHT | PHTHALIC ACID | A | 3C2V | 0.7 | |
PHT | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.7 | |
PHT | PHTHALIC ACID | A,B | 3C2R | 0.7 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.75 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.75 | |
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 | 0.71 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.75 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.75 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.75 | |
TRZ | TRAZEOLIDE | A | 1C12 | 0.74 | |
FBC | A,B | 2B9A | 0.73 | ||
BFL | A,B | 1Q4G | 0.75 | ||
4FC | A | 1YSG | 0.73 |