Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03521606
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 |
NP4![]() | (5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE | A | 2IWS | 0.85 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.72 | ![]() |
C2U![]() | 3,5-dichloro-2-hydroxybenzoic acid | A | 3C3U | 0.75 | ![]() |
C2U![]() | 3,5-dichloro-2-hydroxybenzoic acid | A | 3CV7 | 0.75 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.7 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.7 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.7 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.7 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.7 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1D83 | 0.71 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.71 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.71 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B,C,D | 1VAQ | 0.71 | ![]() |
P2N![]() | (5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE | A | 2CGF | 0.85 | ![]() |
3CA![]() | A,B | 2B77 | 0.75 | ![]() | |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.76 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.76 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.76 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.76 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.76 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.76 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.76 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.7 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.7 | ![]() |
NP5![]() | (5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE | A | 2IWU | 0.85 | ![]() |
QSO![]() | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.7 | ![]() |
HCC![]() | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.73 | ![]() |
FRR![]() | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE | A | 2E14 | 0.71 | ![]() |
G50![]() | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.74 | ![]() |
CHB![]() | 3-CHLORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCH | 0.74 | ![]() |
M1S![]() | (5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE | A | 2IWX | 0.85 | ![]() |
BVL![]() | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.72 | ![]() |
HMO![]() | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.7 | ![]() |
RDC![]() | RADICICOL | A,B | 2Q8I | 0.82 | ![]() |
RDC![]() | RADICICOL | A,B | 1U0Z | 0.82 | ![]() |
RDC![]() | RADICICOL | A | 1BGQ | 0.82 | ![]() |
RDC![]() | RADICICOL | B,D,F,H | 2ZBK | 0.82 | ![]() |
RDC![]() | RADICICOL | A | 2HKJ | 0.82 | ![]() |
RDC![]() | RADICICOL | A,B,C | 3CGY | 0.82 | ![]() |
RDC![]() | RADICICOL | A,B | 2WER | 0.82 | ![]() |
DOB![]() | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOD | 0.71 | ![]() |
DOB![]() | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOE | 0.71 | ![]() |
DOB![]() | 2,4-DIHYDROXYBENZOIC ACID | A | 1PBB | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1ME7 | 0.76 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.76 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEI | 0.76 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEH | 0.76 | ![]() |
FLV![]() | FLAVIOLIN | A | 1ZDW | 0.73 | ![]() |
FLV![]() | FLAVIOLIN | A | 1T93 | 0.73 | ![]() |
FLV![]() | FLAVIOLIN | A | 2D09 | 0.73 | ![]() |