Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02551442
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 | |
OHP | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.71 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOD | 0.74 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOE | 0.74 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1PBB | 0.74 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.73 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.73 | |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3C3U | 0.85 | |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3CV7 | 0.85 | |
3BZ | 3-chlorobenzoate | X | 2QVZ | 0.78 | |
3BZ | 3-chlorobenzoate | X | 2QVX | 0.78 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.7 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.7 | |
DIU | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID | A,B | 3B56 | 0.77 | |
DIU | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID | A | 2BXL | 0.77 | |
FHB | 3-FLUORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCF | 0.77 | |
3CA | A,B | 2B77 | 0.77 | ||
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.78 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.78 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.78 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.78 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.78 | |
GRE | 2,6-DIHYDROXYBENZOIC ACID | A,B,C,D | 2DVU | 0.75 | |
NP4 | (5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE | A | 2IWS | 0.7 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.71 | |
IHB | 3-IODO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCI | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.72 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZFK | 0.7 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZFQ | 0.7 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1Z9Y | 0.7 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZH9 | 0.7 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZGE | 0.7 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZGF | 0.7 | |
43M | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.72 | |
CHB | 3-CHLORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCH | 0.8 | |
P2N | (5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE | A | 2CGF | 0.7 | |
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.75 | |
3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.75 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.74 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.74 | |
PSN | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.75 | |
299 | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4E | 0.74 | |
34D | 3,5-DIHYDROXYBENZOATE | A,B | 2BX7 | 0.71 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3CMP | 0.73 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MD9 | 0.73 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MDB | 0.73 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 1L6M | 0.73 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3BY0 | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I2Z | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C | 1FIQ | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I30 | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1PTH | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3DEU | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C,D | 2E1Q | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3HGX | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3BPX | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1WYG | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1JGS | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | X | 1M6E | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 3B9M | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1FO4 | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1Y7I | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 2FN1 | 0.79 | |
M1S | (5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE | A | 2IWX | 0.7 | |
34Z | 3,4-dichlorobenzoate | X | 2QVY | 0.75 | |
34Z | 3,4-dichlorobenzoate | X | 2QW0 | 0.75 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.72 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.71 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.7 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.7 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.7 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ4 | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOB | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXB | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1G1B | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1YKJ | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUV | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PBE | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCC | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PDH | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUW | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC4 | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC6 | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUW | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1FW9 | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1G81 | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGJ | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUX | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ3 | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1D7L | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 2PHH | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGN | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXA | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOC | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1K0I | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BKW | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1JD3 | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXC | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1TT8 | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ2 | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1Q4S | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BF3 | 0.74 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUR | 0.74 | |
2PB | 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE | A | 1SDE | 0.71 | |
219 | CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4I | 0.74 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.72 | |
NP5 | (5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE | A | 2IWU | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1K03 | 0.8 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 2VQ5 | 0.8 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1EB9 | 0.8 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 2GQ9 | 0.8 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1Z42 | 0.8 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1OYB | 0.8 | |
23A | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.81 | |
FHI | A,B | 1Y1D | 0.73 | ||
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.7 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.74 | |
262 | 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4D | 0.78 |