Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02222649
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 |
TNC![]() | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY- 3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE- 2-CARBOXYLIC ACID AMIDE | A,B | 1N5Q | 0.73 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1RNR | 0.73 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A | 6PAH | 0.73 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1IVV | 0.73 | ![]() |
FBR![]() | (9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one | A | 2GIU | 0.72 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.72 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.72 | ![]() |
TDC![]() | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.7 | ![]() |
TDC![]() | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.7 | ![]() |
AOE![]() | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.79 | ![]() |
ESO![]() | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.71 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.75 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.75 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.75 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.75 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.75 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.75 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.75 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.75 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2A3R | 0.72 | ![]() |
LDP![]() | L-DOPAMINE | A | 5PAH | 0.72 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2QMZ | 0.72 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2VQ5 | 0.72 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.7 | ![]() |
PY9![]() | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.7 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.73 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.73 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.72 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.72 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.72 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.72 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.71 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.71 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.7 | ![]() |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.71 | ![]() |
TAC![]() | TETRACYCLINE | A,B,C,D,E,F, G,H,I,J,K,L | 2HDN | 0.73 | ![]() |
TAC![]() | TETRACYCLINE | A | 2VKE | 0.73 | ![]() |
TAC![]() | TETRACYCLINE | A | 2TRT | 0.73 | ![]() |
TAC![]() | TETRACYCLINE | B | 2UXO | 0.73 | ![]() |
TAC![]() | TETRACYCLINE | A,B,D,E,G,H, J,K,L,N,P,Q, R,T | 1I97 | 0.73 | ![]() |
TAC![]() | TETRACYCLINE | A,D,H,N | 1HNW | 0.73 | ![]() |
TAC![]() | TETRACYCLINE | A,B | 2HCJ | 0.73 | ![]() |
E20![]() | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.7 | ![]() |
MOI![]() | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A- HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2- E]ISOQUINOLINE-7,9-DIOL | H,L | 1Q0Y | 0.7 | ![]() |
EQI![]() | EQUILIN | A,B | 1EQU | 0.8 | ![]() |
MUF![]() | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.73 | ![]() |
3QC![]() | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.72 | ![]() |
SDT![]() | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.8 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.71 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.7 | ![]() |
Y13![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.71 | ![]() |
BM4![]() | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.74 | ![]() |
SLX![]() | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.7 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.71 | ![]() |
TY3![]() | 3-HYDROXY-L-TYROSINE | A,B | 2VH3 | 0.73 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 3PAH | 0.71 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 2HKK | 0.71 | ![]() |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.72 | ![]() |
DXT![]() | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)- 3,5,10,12,12A-PENTAHYDROXY-6-METHYL- 1,11-DIOXO-1,4,4A,5,5A,6,11,12A- OCTAHYDROTETRACENE-2-CARBOXAMIDE | A | 2O7O | 0.71 | ![]() |