Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00112235
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 |
GNR![]() | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN- 2-YL)-N-HYDROXYACETAMIDE | A,B | 1S17 | 0.73 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.72 | ![]() |
BOS![]() | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.72 | ![]() |
CBE![]() | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE | A,B,C,D,N,O, P,Q | 2FBW | 0.76 | ![]() |
FRY![]() | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)- 2-OXO-1,2,3,4-TETRAHYDROQUINOLIN- 3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE- 5-CARBOXAMIDE | A,B | 2IEG | 0.73 | ![]() |
DOE![]() | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.7 | ![]() |
LO1![]() | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.71 | ![]() |
IXM![]() | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1Q41 | 0.74 | ![]() |
IXM![]() | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1UNH | 0.74 | ![]() |
IXM![]() | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A | 2QKR | 0.74 | ![]() |
OCH![]() | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.76 | ![]() |
G3E![]() | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.71 | ![]() |
G1L![]() | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.73 | ![]() |
TYX![]() | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | A | 2PQT | 0.75 | ![]() |
IS2![]() | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.71 | ![]() |
LGD![]() | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.71 | ![]() |
H18![]() | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TL1 | 0.76 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.71 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.71 | ![]() |
ZMG![]() | (5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one | A,B,C,D | 2RBE | 0.77 | ![]() |
221![]() | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.71 | ![]() |
AFF![]() | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.73 | ![]() |
FOE![]() | 2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE | B | 1BX9 | 0.71 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.71 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.71 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.71 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.71 | ![]() |
ISN![]() | ISATIN | A,B | 1OJA | 0.71 | ![]() |
ISN![]() | ISATIN | A,B | 2BK5 | 0.71 | ![]() |
H16![]() | 6-CHLORO-4-(CYCLOHEXYLSULFANYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TKZ | 0.77 | ![]() |