Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01278995
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 |
DNS![]() | N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}- L-LYSINE | H | 1WZ1 | 0.72 | ![]() |
DSO![]() | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- OCTYL-AMIDE | A | 1LWL | 0.73 | ![]() |
DSO![]() | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- OCTYL-AMIDE | A | 1RE9 | 0.73 | ![]() |
3BP![]() | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO- PROPIONYLAMINO)-PENTANEDIOIC ACID 5- AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE) | H,L | 1WTG | 0.71 | ![]() |
BC1![]() | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN- 9-YL)CARBONYL]AMINO}PROPANOIC ACID | H,Y | 1LO0 | 0.76 | ![]() |
TTT![]() | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.71 | ![]() |
PZQ![]() | PRAZIQUANTEL | A | 1GTB | 0.72 | ![]() |
B22![]() | [2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)- 2-OXOETHYL]IMINO}DIACETATO(2-)- KAPPAO]COPPER | A | 2FOU | 0.73 | ![]() |
GIN![]() | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.71 | ![]() |
A00![]() | N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}- 6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)- beta-phenyl-L-phenylalaninamide | A,B | 2QMP | 0.7 | ![]() |
UN6![]() | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.75 | ![]() |
BAN![]() | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.72 | ![]() |
MC2![]() | N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)- L-ARIGNINAMIDE | A | 1T9Y | 0.75 | ![]() |
BOS![]() | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.72 | ![]() |
H1N![]() | N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN- 1-YLMETHYL)PHENYL]IMINO}METHYL)- 2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE | A,B | 2BFY | 0.74 | ![]() |
SU2![]() | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.74 | ![]() |
AN9![]() | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.71 | ![]() |
I52![]() | N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL- PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)- SULFAMOYL]-4-PENTYL-BENZAMIDE | A | 1HOV | 0.74 | ![]() |
LS5![]() | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}- 2-OXO-2,3-DIHYDRO-1H-INDOLE | A | 1KE9 | 0.7 | ![]() |
UN5![]() | {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO- PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-7-YL}-SULFAMIC ACID | A | 2F6Z | 0.82 | ![]() |
CRI![]() | A,B | 1VKG | 0.7 | ![]() | |
IN7![]() | [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- ACETIC ACID | A | 1B8Y | 0.71 | ![]() |
F20![]() | N-BENZOYL-L-PHENYLALANYL-4-[(5S)- 1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]-L-PHENYLALANINAMIDE | A | 2CMA | 0.72 | ![]() |
AEN![]() | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAR | 0.75 | ![]() |
AEN![]() | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAS | 0.75 | ![]() |
IXS![]() | N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)- 1-methyl-2-oxoethyl]amino}ethyl]- N'-[(1R)-1-(4-fluorophenyl)ethyl]- 5-[methyl(methylsulfonyl)amino]isophthalamide | A | 2QZL | 0.76 | ![]() |
NFT![]() | N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'- (AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2- TRIFLUOROETHYL}-L-LEUCINAMIDE | A | 1VSN | 0.71 | ![]() |
DBR![]() | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- BUTYL-AMIDE | A | 1RF9 | 0.73 | ![]() |
SM1![]() | N-(BENZYLSULFONYL)-D-SERYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BENZYL)- L-ALANINAMIDE | U | 1W13 | 0.73 | ![]() |
IZD![]() | ISOTHIAZOLIDINONE ANALOG | A | 2CM7 | 0.73 | ![]() |
1C2![]() | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6T | 0.78 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.7 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.7 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.7 | ![]() |
SL1![]() | N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}- 1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]- 2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4- BENZODIAZEPIN-1-YL}ACETAMIDE | U | 1W12 | 0.71 | ![]() |
LS1![]() | N-METHYL-4-{[(2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | A | 1KE5 | 0.73 | ![]() |
23I![]() | N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL- 5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]- 2-METHYLPROPYL}AMINO)-4-METHYL- 5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]- N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | A,B,C,D | 2P4J | 0.7 | ![]() |
SK2![]() | (3R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | A | 2F6V | 0.74 | ![]() |
198![]() | R-BICALUTAMIDE | A | 1Z95 | 0.72 | ![]() |
303![]() | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWK | 0.71 | ![]() |
ENT![]() | 3(R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6Y | 0.78 | ![]() |
I84![]() | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EKO | 0.77 | ![]() |
I84![]() | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EL3 | 0.77 | ![]() |
C4H![]() | N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]- 3-SULFANYLPROPANAMIDE | A,B | 2DOO | 0.77 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.81 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.81 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.81 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.81 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.81 | ![]() |
UN7![]() | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)- 3-OXO-PROPYL]-BENZOIC ACID | A | 2F71 | 0.71 | ![]() |
GA0![]() | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.77 | ![]() |
008![]() | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.73 | ![]() |
C44![]() | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1S)-1,2,3,4-tetrahydronaphthalen- 1-ylamino]propyl}-3-(1,1-dioxido- 1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | A | 2VIJ | 0.72 | ![]() |