Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00032416
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 |
XMD![]() | (2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]- 2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER | A | 1IQF | 0.72 | ![]() |
NAZ![]() | N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN- 2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7- OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN- 2-YL)METHYL]-BETA-ALANINAMIDE | A,B | 1X26 | 0.71 | ![]() |
XMJ![]() | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQL | 0.74 | ![]() |
NCI![]() | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B,C,D | 3EUI | 0.73 | ![]() |
NCI![]() | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B | 3EQW | 0.73 | ![]() |
XMH![]() | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]- 2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER | A | 1IQJ | 0.7 | ![]() |
XMI![]() | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQK | 0.77 | ![]() |
IQS![]() | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.74 | ![]() |
QYT![]() | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.71 | ![]() |
SBS![]() | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.74 | ![]() |
IQB![]() | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | E | 1YDT | 0.71 | ![]() |
IQB![]() | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | A | 3FMD | 0.71 | ![]() |
SBB![]() | N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL- BENZAMIDE | A | 1IF9 | 0.71 | ![]() |
NCL![]() | 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine | A,B | 3ET8 | 0.74 | ![]() |
CMW![]() | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.72 | ![]() |
LA1![]() | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4- (QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN- 1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE | A,B | 1XUO | 0.72 | ![]() |
D91![]() | 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN- 4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN- 1-YL}SULFONYL)-1H-INDOLE | A | 1WU1 | 0.7 | ![]() |
FXA![]() | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)- 4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | A | 3CEN | 0.71 | ![]() |
CDB![]() | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-3- METHYL-6-PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU8 | 0.71 | ![]() |
I11![]() | [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN- 4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | H | 1UVS | 0.71 | ![]() |
IQP![]() | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.77 | ![]() |
IQU![]() | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.73 | ![]() |
PB9![]() | methyl 4-{[{(3S)-6-cyano-1-[(1- methyl-1H-imidazol-5-yl)methyl]- 1,2,3,4-tetrahydroquinolin-3-yl}(pyridin- 2-ylsulfonyl)amino]methyl}piperidine- 1-carboxylate | B | 2R2L | 0.7 | ![]() |
XMF![]() | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)- 4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQH | 0.72 | ![]() |
255![]() | N-(tert-butyl)-4-[5-(pyridin-2- ylamino)quinolin-3-yl]benzenesulfonamide | A,B | 2R9S | 0.74 | ![]() |
A1T![]() | 5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL- 4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN- 4-YL]PYRIDINE-2-CARBOXAMIDE | A | 2IGX | 0.72 | ![]() |
SN6![]() | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.74 | ![]() |
QMS![]() | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.73 | ![]() |
A1E![]() | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A | 1ZGB | 0.74 | ![]() |
NCE![]() | 3,6-Bis[(3-morpholinopropionamido)] acridine | A,B | 3EM2 | 0.7 | ![]() |
XME![]() | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)- 4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQG | 0.75 | ![]() |
XMB![]() | 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]- 1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]- THIOMORPHOLINE-1,1-DIOXIDE | A | 1IQE | 0.75 | ![]() |
XMG![]() | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]- 2-PIPERAZINECARBOXYLIC ACID | A | 1IQI | 0.71 | ![]() |
736![]() | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN- 4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2- B]PYRIDINE | B | 2BED | 0.71 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2ESM | 0.74 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2F2U | 0.74 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 2GNI | 0.74 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 1Q8W | 0.74 | ![]() |
C48![]() | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.72 | ![]() |
P4O![]() | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A | 2JBO | 0.71 | ![]() |
P4O![]() | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A,B,C,D,E,F, G,H,I,K,L | 2JBP | 0.71 | ![]() |
NCJ![]() | 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine | A,B | 3ERU | 0.73 | ![]() |
815![]() | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1- (1-AMINO-ISOQUINOLIN-7-YLMETHYL)- 2-OXO-PYRROLDIN-3-YL]-AMIDE | A | 1F0R | 0.7 | ![]() |
A2E![]() | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A,B | 1ZGC | 0.74 | ![]() |
NC5![]() | 3-[(2R)-2-ethylpiperidin-1-yl]- N-[6-({3-[(2S)-2-ethylpiperidin- 1-yl]propanoyl}amino)acridin-3- yl]propanamide | A,B,C,D | 3EUI | 0.73 | ![]() |
PF7![]() | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.72 | ![]() |
NPH![]() | CYSTEINE-METHYLENE-CARBAMOYL-1,10- PHENANTHROLINE | A | 1A18 | 0.7 | ![]() |
SBR![]() | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.74 | ![]() |
CM6![]() | (2S)-2-[(2,1,3-BENZOTHIADIAZOL- 4-YLSULFONYL)AMINO]-2-PHENYL-N- PYRIDIN-4-YLACETAMIDE | A | 2CIB | 0.73 | ![]() |
SN7![]() | 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]- N-METHYLPYRIDINIUM MESYLATE | A | 328D | 0.72 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 1Q8U | 0.73 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A,B | 3D9V | 0.73 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNH | 0.73 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNL | 0.73 | ![]() |
XMC![]() | 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]- 2-PIPERAZINYL]CARBONYL]MORPHOLINE | A | 1IQN | 0.72 | ![]() |
ZEN![]() | T | 1J17 | 0.75 | ![]() | |
ZEN![]() | A | 1QL9 | 0.75 | ![]() | |
ZEN![]() | T | 1V2K | 0.75 | ![]() | |
ZEN![]() | A | 1QL8 | 0.75 | ![]() | |
ZEN![]() | A | 1QL7 | 0.75 | ![]() | |
XMA![]() | (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO- 8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)- SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE- 2(3H),4'-PIPERIDIN]-5-ONE | A | 1IOE | 0.7 | ![]() |
NCK![]() | 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine | A,B | 3ES0 | 0.74 | ![]() |