Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020788
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 |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.73 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A | 1HSR | 0.73 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.73 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.73 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.73 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A | 3GCK | 0.73 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.73 | ![]() |
3G3![]() | 2-[2-(1H-tetrazol-5-yl)ethyl]-1H- isoindole-1,3(2H)-dione | A,B | 3G32 | 0.75 | ![]() |
GF7![]() | (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A | 3GQZ | 0.7 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.77 | ![]() |
PYQ![]() | PYROQUILON | A | 1JA9 | 0.7 | ![]() |
PYQ![]() | PYROQUILON | A,B,C,D | 1G0O | 0.7 | ![]() |
ALR![]() | ALRESTATIN | A | 1AZ1 | 0.71 | ![]() |
12B![]() | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.72 | ![]() |
KHA![]() | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.72 | ![]() |
ISN![]() | ISATIN | A,B | 1OJA | 0.73 | ![]() |
ISN![]() | ISATIN | A,B | 2BK5 | 0.73 | ![]() |
BM5![]() | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 3-CARBOXYLIC ACID METHYL ESTER | A | 1C0U | 0.72 | ![]() |
FPB![]() | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.75 | ![]() |
C16![]() | 4-(4-methyl-1,3-dioxo-1,3-dihydro- 2H-isoindol-2-yl)benzonitrile | A | 3BNZ | 0.76 | ![]() |
NNI![]() | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate | A | 2VG7 | 0.71 | ![]() |
M38![]() | 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN- 6(11H)-YL)BUTANOATE | A,C | 1SC7 | 0.71 | ![]() |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.73 | ![]() |
I06![]() | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE- 1,4-DIONE | D,E,F,G,H,L, M,N,O,P | 1EEF | 0.75 | ![]() |
DHQ![]() | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.77 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.78 | ![]() |
BVA![]() | TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE | B,C | 2P8O | 0.71 | ![]() |
53U![]() | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.71 | ![]() |
4DP![]() | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.72 | ![]() |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.73 | ![]() |
BSA![]() | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.72 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.77 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.7 | ![]() |
LSA![]() | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1- DIOXIDE | A | 2Q1B | 0.72 | ![]() |
LSA![]() | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1- DIOXIDE | A | 2Q38 | 0.72 | ![]() |
BM1![]() | (R)-(+)9B-(3-METHYL)PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 5(9BH)-ONE | A | 1C0T | 0.78 | ![]() |
RXA![]() | isoquinoline-1,3,4(2H)-trione | A,B,C,D | 3DEH | 0.77 | ![]() |
SAB![]() | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.7 | ![]() |